USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 1069 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.178 USER MOD Set 1.2: A 139 THR OG1 : rot -87:sc= 0.178 USER MOD Set 2.1: A 80 TYR OH : rot -44:sc= 1.27 USER MOD Set 2.2: A 126 SER OG : rot -166:sc= 0.101 USER MOD Set 3.1: A 58 ASN :FLIP amide:sc= 0.137 F(o=-2.8,f=0.69) USER MOD Set 3.2: A 60 ASN :FLIP amide:sc= 0.55 F(o=-1.7,f=0.69) USER MOD Set 4.1: A 45 TYR OH : rot 180:sc= 0.835 USER MOD Set 4.2: A 61 GLN : amide:sc= -0.242 X(o=0.59,f=0.68) USER MOD Set 5.1: A 25 ASN : amide:sc= -5.76 X(o=-7,f=-6.5!) USER MOD Set 5.2: A 27 LYS NZ :NH3+ -122:sc= -1.2 (180deg=-0.252) USER MOD Set 6.1: A 21 MET CE :methyl -150:sc= -0.345 (180deg=-1.35) USER MOD Set 6.2: A 48 LYS NZ :NH3+ -126:sc= 1.26 (180deg=0.089) USER MOD Set 6.3: A 62 TYR OH : rot 180:sc= 0.576 USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.123 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -152:sc= 0.925 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 110:sc= -0.779 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.482 F(o=-1.1,f=-0.48) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 18 MET CE :methyl 148:sc= -0.154 (180deg=-1.05) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= -0.0659 (180deg=-0.571) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.06 K(o=-2.1,f=-4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 28:sc= -0.0654 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -131:sc= 1.13 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -76:sc= 0.0797 USER MOD Single : A 59 LYS NZ :NH3+ 155:sc= -0.0884 (180deg=-0.77) USER MOD Single : A 63 TYR OH : rot -58:sc= 0.101! USER MOD Single : A 66 THR OG1 : rot 170:sc= -1.81 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= -0.173 (180deg=-0.958) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -142:sc= -0.348 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -118:sc= 1.39 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= -0.15 (180deg=-1.08) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN :FLIP amide:sc= -0.292 F(o=-1.3,f=-0.29) USER MOD Single : A 116 ASN :FLIP amide:sc= -0.488 F(o=-1.1,f=-0.49) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.7) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN :FLIP amide:sc= -0.319 F(o=-1,f=-0.32) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 116.011 -20.346 18.374 1.00 0.00 N ATOM 2 CA ALA A 1 115.028 -19.610 17.531 1.00 0.00 C ATOM 3 C ALA A 1 115.661 -19.284 16.181 1.00 0.00 C ATOM 4 O ALA A 1 116.872 -19.414 16.007 1.00 0.00 O ATOM 5 CB ALA A 1 114.619 -18.317 18.241 1.00 0.00 C ATOM 0 H1 ALA A 1 115.672 -21.316 18.536 1.00 0.00 H new ATOM 0 H2 ALA A 1 116.930 -20.377 17.888 1.00 0.00 H new ATOM 0 H3 ALA A 1 116.118 -19.859 19.287 1.00 0.00 H new ATOM 0 HA ALA A 1 114.144 -20.228 17.372 1.00 0.00 H new ATOM 0 HB1 ALA A 1 113.900 -17.776 17.626 1.00 0.00 H new ATOM 0 HB2 ALA A 1 114.166 -18.558 19.203 1.00 0.00 H new ATOM 0 HB3 ALA A 1 115.500 -17.695 18.400 1.00 0.00 H new ATOM 13 N THR A 2 114.833 -18.860 15.231 1.00 0.00 N ATOM 14 CA THR A 2 115.312 -18.521 13.892 1.00 0.00 C ATOM 15 C THR A 2 114.916 -17.094 13.531 1.00 0.00 C ATOM 16 O THR A 2 114.071 -16.487 14.187 1.00 0.00 O ATOM 17 CB THR A 2 114.727 -19.485 12.856 1.00 0.00 C ATOM 18 OG1 THR A 2 113.318 -19.321 12.808 1.00 0.00 O ATOM 19 CG2 THR A 2 115.066 -20.929 13.233 1.00 0.00 C ATOM 0 H THR A 2 113.828 -18.743 15.362 1.00 0.00 H new ATOM 0 HA THR A 2 116.399 -18.605 13.889 1.00 0.00 H new ATOM 0 HB THR A 2 115.155 -19.267 11.878 1.00 0.00 H new ATOM 0 HG1 THR A 2 112.900 -20.161 12.524 1.00 0.00 H new ATOM 0 HG21 THR A 2 114.646 -21.607 12.490 1.00 0.00 H new ATOM 0 HG22 THR A 2 116.149 -21.052 13.265 1.00 0.00 H new ATOM 0 HG23 THR A 2 114.645 -21.158 14.212 1.00 0.00 H new ATOM 27 N SER A 3 115.537 -16.564 12.482 1.00 0.00 N ATOM 28 CA SER A 3 115.262 -15.200 12.046 1.00 0.00 C ATOM 29 C SER A 3 115.521 -15.069 10.550 1.00 0.00 C ATOM 30 O SER A 3 116.223 -15.892 9.962 1.00 0.00 O ATOM 31 CB SER A 3 116.151 -14.217 12.810 1.00 0.00 C ATOM 32 OG SER A 3 117.501 -14.397 12.402 1.00 0.00 O ATOM 0 H SER A 3 116.231 -17.056 11.920 1.00 0.00 H new ATOM 0 HA SER A 3 114.216 -14.970 12.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 115.833 -13.193 12.615 1.00 0.00 H new ATOM 0 HB3 SER A 3 116.057 -14.381 13.883 1.00 0.00 H new ATOM 0 HG SER A 3 118.076 -13.769 12.887 1.00 0.00 H new ATOM 38 N THR A 4 114.955 -14.036 9.932 1.00 0.00 N ATOM 39 CA THR A 4 115.147 -13.813 8.500 1.00 0.00 C ATOM 40 C THR A 4 115.682 -12.411 8.237 1.00 0.00 C ATOM 41 O THR A 4 115.501 -11.499 9.044 1.00 0.00 O ATOM 42 CB THR A 4 113.825 -13.989 7.741 1.00 0.00 C ATOM 43 OG1 THR A 4 112.921 -12.964 8.122 1.00 0.00 O ATOM 44 CG2 THR A 4 113.212 -15.356 8.053 1.00 0.00 C ATOM 0 H THR A 4 114.364 -13.345 10.394 1.00 0.00 H new ATOM 0 HA THR A 4 115.870 -14.549 8.148 1.00 0.00 H new ATOM 0 HB THR A 4 114.020 -13.927 6.670 1.00 0.00 H new ATOM 0 HG1 THR A 4 112.797 -12.343 7.374 1.00 0.00 H new ATOM 0 HG21 THR A 4 112.275 -15.467 7.508 1.00 0.00 H new ATOM 0 HG22 THR A 4 113.903 -16.142 7.750 1.00 0.00 H new ATOM 0 HG23 THR A 4 113.021 -15.433 9.123 1.00 0.00 H new ATOM 52 N VAL A 5 116.346 -12.255 7.097 1.00 0.00 N ATOM 53 CA VAL A 5 116.848 -10.951 6.670 1.00 0.00 C ATOM 54 C VAL A 5 116.302 -10.628 5.283 1.00 0.00 C ATOM 55 O VAL A 5 116.442 -11.424 4.356 1.00 0.00 O ATOM 56 CB VAL A 5 118.382 -10.956 6.639 1.00 0.00 C ATOM 57 CG1 VAL A 5 118.895 -9.560 6.278 1.00 0.00 C ATOM 58 CG2 VAL A 5 118.926 -11.349 8.014 1.00 0.00 C ATOM 0 H VAL A 5 116.550 -13.016 6.450 1.00 0.00 H new ATOM 0 HA VAL A 5 116.517 -10.191 7.378 1.00 0.00 H new ATOM 0 HB VAL A 5 118.720 -11.675 5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 5 119.985 -9.567 6.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 118.515 -9.275 5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 5 118.551 -8.842 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 5 120.016 -11.351 7.987 1.00 0.00 H new ATOM 0 HG22 VAL A 5 118.583 -10.632 8.760 1.00 0.00 H new ATOM 0 HG23 VAL A 5 118.568 -12.344 8.276 1.00 0.00 H new ATOM 68 N THR A 6 115.680 -9.460 5.143 1.00 0.00 N ATOM 69 CA THR A 6 115.060 -9.082 3.876 1.00 0.00 C ATOM 70 C THR A 6 115.534 -7.705 3.425 1.00 0.00 C ATOM 71 O THR A 6 115.734 -6.807 4.240 1.00 0.00 O ATOM 72 CB THR A 6 113.537 -9.071 4.029 1.00 0.00 C ATOM 73 OG1 THR A 6 113.109 -10.322 4.550 1.00 0.00 O ATOM 74 CG2 THR A 6 112.882 -8.836 2.666 1.00 0.00 C ATOM 0 H THR A 6 115.592 -8.765 5.884 1.00 0.00 H new ATOM 0 HA THR A 6 115.351 -9.813 3.122 1.00 0.00 H new ATOM 0 HB THR A 6 113.247 -8.270 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 6 112.134 -10.318 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 6 111.798 -8.829 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 6 113.211 -7.877 2.265 1.00 0.00 H new ATOM 0 HG23 THR A 6 113.170 -9.634 1.982 1.00 0.00 H new ATOM 82 N GLY A 7 115.713 -7.548 2.119 1.00 0.00 N ATOM 83 CA GLY A 7 116.035 -6.245 1.549 1.00 0.00 C ATOM 84 C GLY A 7 115.109 -5.984 0.373 1.00 0.00 C ATOM 85 O GLY A 7 114.808 -6.908 -0.385 1.00 0.00 O ATOM 0 H GLY A 7 115.641 -8.303 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 7 115.919 -5.465 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 7 117.075 -6.222 1.223 1.00 0.00 H new ATOM 89 N GLY A 8 114.651 -4.742 0.224 1.00 0.00 N ATOM 90 CA GLY A 8 113.691 -4.442 -0.832 1.00 0.00 C ATOM 91 C GLY A 8 113.773 -2.995 -1.289 1.00 0.00 C ATOM 92 O GLY A 8 114.481 -2.179 -0.697 1.00 0.00 O ATOM 0 H GLY A 8 114.921 -3.948 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.871 -5.100 -1.682 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.683 -4.652 -0.474 1.00 0.00 H new ATOM 96 N TYR A 9 112.997 -2.690 -2.324 1.00 0.00 N ATOM 97 CA TYR A 9 112.974 -1.356 -2.907 1.00 0.00 C ATOM 98 C TYR A 9 111.589 -0.749 -2.738 1.00 0.00 C ATOM 99 O TYR A 9 110.579 -1.442 -2.876 1.00 0.00 O ATOM 100 CB TYR A 9 113.329 -1.426 -4.392 1.00 0.00 C ATOM 101 CG TYR A 9 114.704 -1.988 -4.657 1.00 0.00 C ATOM 102 CD1 TYR A 9 115.830 -1.167 -4.535 1.00 0.00 C ATOM 103 CD2 TYR A 9 114.854 -3.332 -5.022 1.00 0.00 C ATOM 104 CE1 TYR A 9 117.107 -1.688 -4.781 1.00 0.00 C ATOM 105 CE2 TYR A 9 116.129 -3.853 -5.267 1.00 0.00 C ATOM 106 CZ TYR A 9 117.256 -3.030 -5.146 1.00 0.00 C ATOM 107 OH TYR A 9 118.515 -3.544 -5.386 1.00 0.00 O ATOM 0 H TYR A 9 112.372 -3.356 -2.778 1.00 0.00 H new ATOM 0 HA TYR A 9 113.708 -0.732 -2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 9 112.589 -2.040 -4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 9 113.266 -0.426 -4.820 1.00 0.00 H new ATOM 0 HD1 TYR A 9 115.715 -0.131 -4.251 1.00 0.00 H new ATOM 0 HD2 TYR A 9 113.985 -3.966 -5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 9 117.976 -1.054 -4.689 1.00 0.00 H new ATOM 0 HE2 TYR A 9 116.244 -4.889 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 9 118.441 -4.491 -5.627 1.00 0.00 H new ATOM 117 N ALA A 10 111.558 0.535 -2.403 1.00 0.00 N ATOM 118 CA ALA A 10 110.306 1.254 -2.207 1.00 0.00 C ATOM 119 C ALA A 10 110.185 2.380 -3.224 1.00 0.00 C ATOM 120 O ALA A 10 111.163 3.074 -3.499 1.00 0.00 O ATOM 121 CB ALA A 10 110.274 1.849 -0.799 1.00 0.00 C ATOM 0 H ALA A 10 112.393 1.103 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 10 109.476 0.559 -2.336 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.337 2.387 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.351 1.048 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 10 111.110 2.537 -0.676 1.00 0.00 H new ATOM 127 N GLN A 11 108.989 2.564 -3.774 1.00 0.00 N ATOM 128 CA GLN A 11 108.739 3.680 -4.680 1.00 0.00 C ATOM 129 C GLN A 11 107.515 4.450 -4.208 1.00 0.00 C ATOM 130 O GLN A 11 106.483 3.850 -3.914 1.00 0.00 O ATOM 131 CB GLN A 11 108.502 3.158 -6.103 1.00 0.00 C ATOM 132 CG GLN A 11 109.696 2.315 -6.567 1.00 0.00 C ATOM 133 CD GLN A 11 110.981 3.138 -6.551 1.00 0.00 C ATOM 134 OE1 GLN A 11 112.046 2.657 -5.973 1.00 0.00 O flip ATOM 135 NE2 GLN A 11 111.014 4.249 -7.080 1.00 0.00 N flip ATOM 0 H GLN A 11 108.183 1.960 -3.610 1.00 0.00 H new ATOM 0 HA GLN A 11 109.607 4.340 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 11 107.592 2.558 -6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 11 108.353 3.995 -6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 11 109.807 1.446 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 11 109.512 1.939 -7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 11 110.180 4.624 -7.532 1.00 0.00 H new ATOM 0 HE22 GLN A 11 111.876 4.795 -7.067 1.00 0.00 H new ATOM 144 N SER A 12 107.631 5.775 -4.137 1.00 0.00 N ATOM 145 CA SER A 12 106.515 6.608 -3.695 1.00 0.00 C ATOM 146 C SER A 12 105.997 7.430 -4.864 1.00 0.00 C ATOM 147 O SER A 12 106.790 7.914 -5.678 1.00 0.00 O ATOM 148 CB SER A 12 106.957 7.547 -2.573 1.00 0.00 C ATOM 149 OG SER A 12 107.790 6.838 -1.667 1.00 0.00 O ATOM 0 H SER A 12 108.478 6.290 -4.377 1.00 0.00 H new ATOM 0 HA SER A 12 105.724 5.958 -3.320 1.00 0.00 H new ATOM 0 HB2 SER A 12 107.495 8.400 -2.988 1.00 0.00 H new ATOM 0 HB3 SER A 12 106.086 7.943 -2.050 1.00 0.00 H new ATOM 0 HG SER A 12 108.076 7.438 -0.947 1.00 0.00 H new ATOM 155 N ASP A 13 104.685 7.648 -4.887 1.00 0.00 N ATOM 156 CA ASP A 13 104.036 8.239 -6.052 1.00 0.00 C ATOM 157 C ASP A 13 104.235 9.749 -6.098 1.00 0.00 C ATOM 158 O ASP A 13 104.136 10.441 -5.086 1.00 0.00 O ATOM 159 CB ASP A 13 102.538 7.926 -6.024 1.00 0.00 C ATOM 160 CG ASP A 13 101.910 8.489 -4.753 1.00 0.00 C ATOM 161 OD1 ASP A 13 101.589 9.666 -4.747 1.00 0.00 O ATOM 162 OD2 ASP A 13 101.758 7.735 -3.808 1.00 0.00 O ATOM 0 H ASP A 13 104.054 7.426 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 13 104.492 7.807 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.052 8.355 -6.900 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.383 6.848 -6.069 1.00 0.00 H new ATOM 167 N ALA A 14 104.521 10.239 -7.300 1.00 0.00 N ATOM 168 CA ALA A 14 104.802 11.654 -7.516 1.00 0.00 C ATOM 169 C ALA A 14 103.669 12.325 -8.286 1.00 0.00 C ATOM 170 O ALA A 14 103.068 11.727 -9.179 1.00 0.00 O ATOM 171 CB ALA A 14 106.107 11.814 -8.296 1.00 0.00 C ATOM 0 H ALA A 14 104.564 9.671 -8.146 1.00 0.00 H new ATOM 0 HA ALA A 14 104.894 12.133 -6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.309 12.873 -8.453 1.00 0.00 H new ATOM 0 HB2 ALA A 14 106.926 11.368 -7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 14 106.018 11.315 -9.261 1.00 0.00 H new ATOM 177 N GLN A 15 103.389 13.572 -7.929 1.00 0.00 N ATOM 178 CA GLN A 15 102.384 14.360 -8.631 1.00 0.00 C ATOM 179 C GLN A 15 103.060 15.105 -9.776 1.00 0.00 C ATOM 180 O GLN A 15 104.256 15.376 -9.714 1.00 0.00 O ATOM 181 CB GLN A 15 101.730 15.360 -7.675 1.00 0.00 C ATOM 182 CG GLN A 15 100.974 14.603 -6.580 1.00 0.00 C ATOM 183 CD GLN A 15 100.384 15.578 -5.563 1.00 0.00 C ATOM 184 OE1 GLN A 15 100.808 16.732 -5.479 1.00 0.00 O ATOM 185 NE2 GLN A 15 99.421 15.178 -4.779 1.00 0.00 N ATOM 0 H GLN A 15 103.844 14.060 -7.157 1.00 0.00 H new ATOM 0 HA GLN A 15 101.609 13.700 -9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 15 102.489 16.003 -7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.045 16.008 -8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 15 100.177 14.007 -7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 15 101.648 13.909 -6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 15 99.070 14.223 -4.849 1.00 0.00 H new ATOM 0 HE22 GLN A 15 99.019 15.821 -4.096 1.00 0.00 H new ATOM 194 N GLY A 16 102.305 15.424 -10.825 1.00 0.00 N ATOM 195 CA GLY A 16 102.896 15.954 -12.055 1.00 0.00 C ATOM 196 C GLY A 16 103.856 17.110 -11.784 1.00 0.00 C ATOM 197 O GLY A 16 103.677 17.872 -10.834 1.00 0.00 O ATOM 0 H GLY A 16 101.290 15.326 -10.850 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.428 15.156 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 16 102.102 16.292 -12.721 1.00 0.00 H new ATOM 201 N GLN A 17 104.892 17.195 -12.615 1.00 0.00 N ATOM 202 CA GLN A 17 105.961 18.178 -12.449 1.00 0.00 C ATOM 203 C GLN A 17 106.723 17.943 -11.143 1.00 0.00 C ATOM 204 O GLN A 17 107.095 18.888 -10.446 1.00 0.00 O ATOM 205 CB GLN A 17 105.402 19.606 -12.492 1.00 0.00 C ATOM 206 CG GLN A 17 104.747 19.854 -13.853 1.00 0.00 C ATOM 207 CD GLN A 17 104.105 21.240 -13.896 1.00 0.00 C ATOM 208 OE1 GLN A 17 103.860 21.852 -12.855 1.00 0.00 O ATOM 209 NE2 GLN A 17 103.817 21.776 -15.050 1.00 0.00 N ATOM 0 H GLN A 17 105.015 16.584 -13.423 1.00 0.00 H new ATOM 0 HA GLN A 17 106.657 18.056 -13.279 1.00 0.00 H new ATOM 0 HB2 GLN A 17 104.673 19.747 -11.694 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.202 20.327 -12.324 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.493 19.768 -14.643 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.992 19.091 -14.044 1.00 0.00 H new ATOM 0 HE21 GLN A 17 104.020 21.270 -15.912 1.00 0.00 H new ATOM 0 HE22 GLN A 17 103.389 22.701 -15.090 1.00 0.00 H new ATOM 218 N MET A 18 106.960 16.673 -10.821 1.00 0.00 N ATOM 219 CA MET A 18 107.779 16.322 -9.664 1.00 0.00 C ATOM 220 C MET A 18 108.525 15.016 -9.926 1.00 0.00 C ATOM 221 O MET A 18 108.277 14.341 -10.925 1.00 0.00 O ATOM 222 CB MET A 18 106.913 16.166 -8.411 1.00 0.00 C ATOM 223 CG MET A 18 106.140 17.461 -8.158 1.00 0.00 C ATOM 224 SD MET A 18 105.297 17.358 -6.558 1.00 0.00 S ATOM 225 CE MET A 18 106.770 17.513 -5.518 1.00 0.00 C ATOM 0 H MET A 18 106.599 15.874 -11.342 1.00 0.00 H new ATOM 0 HA MET A 18 108.495 17.127 -9.501 1.00 0.00 H new ATOM 0 HB2 MET A 18 106.219 15.335 -8.537 1.00 0.00 H new ATOM 0 HB3 MET A 18 107.539 15.930 -7.551 1.00 0.00 H new ATOM 0 HG2 MET A 18 106.821 18.312 -8.168 1.00 0.00 H new ATOM 0 HG3 MET A 18 105.414 17.625 -8.954 1.00 0.00 H new ATOM 0 HE1 MET A 18 106.509 18.026 -4.592 1.00 0.00 H new ATOM 0 HE2 MET A 18 107.158 16.521 -5.286 1.00 0.00 H new ATOM 0 HE3 MET A 18 107.531 18.085 -6.048 1.00 0.00 H new ATOM 235 N ASN A 19 109.440 14.668 -9.026 1.00 0.00 N ATOM 236 CA ASN A 19 110.220 13.438 -9.167 1.00 0.00 C ATOM 237 C ASN A 19 109.780 12.395 -8.143 1.00 0.00 C ATOM 238 O ASN A 19 109.524 12.719 -6.984 1.00 0.00 O ATOM 239 CB ASN A 19 111.707 13.743 -8.975 1.00 0.00 C ATOM 240 CG ASN A 19 112.545 12.550 -9.416 1.00 0.00 C ATOM 241 OD1 ASN A 19 112.519 12.170 -10.587 1.00 0.00 O ATOM 242 ND2 ASN A 19 113.293 11.932 -8.542 1.00 0.00 N ATOM 0 H ASN A 19 109.661 15.216 -8.194 1.00 0.00 H new ATOM 0 HA ASN A 19 110.051 13.038 -10.167 1.00 0.00 H new ATOM 0 HB2 ASN A 19 111.983 14.625 -9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 19 111.908 13.972 -7.928 1.00 0.00 H new ATOM 0 HD21 ASN A 19 113.858 11.132 -8.829 1.00 0.00 H new ATOM 0 HD22 ASN A 19 113.313 12.249 -7.573 1.00 0.00 H new ATOM 249 N LYS A 20 109.695 11.142 -8.581 1.00 0.00 N ATOM 250 CA LYS A 20 109.332 10.048 -7.683 1.00 0.00 C ATOM 251 C LYS A 20 110.412 9.860 -6.625 1.00 0.00 C ATOM 252 O LYS A 20 111.526 10.363 -6.773 1.00 0.00 O ATOM 253 CB LYS A 20 109.165 8.750 -8.478 1.00 0.00 C ATOM 254 CG LYS A 20 107.992 8.887 -9.448 1.00 0.00 C ATOM 255 CD LYS A 20 107.763 7.554 -10.163 1.00 0.00 C ATOM 256 CE LYS A 20 106.669 7.720 -11.220 1.00 0.00 C ATOM 257 NZ LYS A 20 107.154 8.633 -12.295 1.00 0.00 N ATOM 0 H LYS A 20 109.871 10.859 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 20 108.389 10.295 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 20 110.080 8.529 -9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 20 108.992 7.916 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 20 107.092 9.181 -8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 20 108.198 9.672 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 108.688 7.218 -10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 20 107.474 6.788 -9.443 1.00 0.00 H new ATOM 0 HE2 LYS A 20 106.406 6.750 -11.642 1.00 0.00 H new ATOM 0 HE3 LYS A 20 105.766 8.125 -10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 106.620 8.455 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 107.016 9.621 -12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 108.165 8.461 -12.466 1.00 0.00 H new ATOM 271 N MET A 21 110.088 9.136 -5.554 1.00 0.00 N ATOM 272 CA MET A 21 111.045 8.939 -4.463 1.00 0.00 C ATOM 273 C MET A 21 111.475 7.479 -4.392 1.00 0.00 C ATOM 274 O MET A 21 110.661 6.584 -4.621 1.00 0.00 O ATOM 275 CB MET A 21 110.412 9.336 -3.129 1.00 0.00 C ATOM 276 CG MET A 21 109.958 10.796 -3.188 1.00 0.00 C ATOM 277 SD MET A 21 109.302 11.288 -1.575 1.00 0.00 S ATOM 278 CE MET A 21 108.744 12.943 -2.051 1.00 0.00 C ATOM 0 H MET A 21 109.185 8.682 -5.418 1.00 0.00 H new ATOM 0 HA MET A 21 111.916 9.565 -4.656 1.00 0.00 H new ATOM 0 HB2 MET A 21 109.562 8.689 -2.912 1.00 0.00 H new ATOM 0 HB3 MET A 21 111.130 9.201 -2.320 1.00 0.00 H new ATOM 0 HG2 MET A 21 110.795 11.438 -3.463 1.00 0.00 H new ATOM 0 HG3 MET A 21 109.195 10.920 -3.956 1.00 0.00 H new ATOM 0 HE1 MET A 21 108.801 13.608 -1.189 1.00 0.00 H new ATOM 0 HE2 MET A 21 109.381 13.327 -2.848 1.00 0.00 H new ATOM 0 HE3 MET A 21 107.714 12.892 -2.403 1.00 0.00 H new ATOM 288 N GLY A 22 112.740 7.241 -4.047 1.00 0.00 N ATOM 289 CA GLY A 22 113.258 5.879 -3.962 1.00 0.00 C ATOM 290 C GLY A 22 113.735 5.591 -2.545 1.00 0.00 C ATOM 291 O GLY A 22 114.370 6.435 -1.921 1.00 0.00 O ATOM 0 H GLY A 22 113.419 7.968 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.482 5.168 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 22 114.081 5.750 -4.665 1.00 0.00 H new ATOM 295 N GLY A 23 113.421 4.403 -2.036 1.00 0.00 N ATOM 296 CA GLY A 23 113.774 4.057 -0.661 1.00 0.00 C ATOM 297 C GLY A 23 114.344 2.648 -0.559 1.00 0.00 C ATOM 298 O GLY A 23 113.911 1.742 -1.268 1.00 0.00 O ATOM 0 H GLY A 23 112.928 3.671 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.504 4.772 -0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 23 112.890 4.138 -0.028 1.00 0.00 H new ATOM 302 N PHE A 24 115.327 2.475 0.318 1.00 0.00 N ATOM 303 CA PHE A 24 115.895 1.157 0.580 1.00 0.00 C ATOM 304 C PHE A 24 115.432 0.676 1.950 1.00 0.00 C ATOM 305 O PHE A 24 115.445 1.452 2.906 1.00 0.00 O ATOM 306 CB PHE A 24 117.423 1.224 0.547 1.00 0.00 C ATOM 307 CG PHE A 24 118.088 -0.123 0.701 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.415 -0.600 1.974 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.376 -0.894 -0.432 1.00 0.00 C ATOM 310 CE1 PHE A 24 119.031 -1.849 2.118 1.00 0.00 C ATOM 311 CE2 PHE A 24 118.991 -2.142 -0.290 1.00 0.00 C ATOM 312 CZ PHE A 24 119.319 -2.620 0.984 1.00 0.00 C ATOM 0 H PHE A 24 115.747 3.230 0.859 1.00 0.00 H new ATOM 0 HA PHE A 24 115.558 0.461 -0.189 1.00 0.00 H new ATOM 0 HB2 PHE A 24 117.739 1.671 -0.396 1.00 0.00 H new ATOM 0 HB3 PHE A 24 117.767 1.884 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 24 118.192 -0.004 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 24 118.123 -0.525 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 24 119.284 -2.217 3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 24 119.213 -2.737 -1.164 1.00 0.00 H new ATOM 0 HZ PHE A 24 119.794 -3.584 1.093 1.00 0.00 H new ATOM 322 N ASN A 25 114.999 -0.582 2.041 1.00 0.00 N ATOM 323 CA ASN A 25 114.468 -1.107 3.300 1.00 0.00 C ATOM 324 C ASN A 25 115.196 -2.379 3.723 1.00 0.00 C ATOM 325 O ASN A 25 115.406 -3.279 2.911 1.00 0.00 O ATOM 326 CB ASN A 25 112.976 -1.406 3.144 1.00 0.00 C ATOM 327 CG ASN A 25 112.755 -2.375 1.988 1.00 0.00 C ATOM 328 OD1 ASN A 25 112.451 -1.952 0.872 1.00 0.00 O ATOM 329 ND2 ASN A 25 112.886 -3.657 2.188 1.00 0.00 N ATOM 0 H ASN A 25 115.005 -1.249 1.269 1.00 0.00 H new ATOM 0 HA ASN A 25 114.620 -0.352 4.071 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.584 -1.833 4.067 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.429 -0.481 2.963 1.00 0.00 H new ATOM 0 HD21 ASN A 25 112.737 -4.311 1.420 1.00 0.00 H new ATOM 0 HD22 ASN A 25 113.138 -4.006 3.113 1.00 0.00 H new ATOM 336 N LEU A 26 115.579 -2.426 4.997 1.00 0.00 N ATOM 337 CA LEU A 26 116.193 -3.618 5.578 1.00 0.00 C ATOM 338 C LEU A 26 115.352 -4.092 6.760 1.00 0.00 C ATOM 339 O LEU A 26 114.940 -3.276 7.584 1.00 0.00 O ATOM 340 CB LEU A 26 117.614 -3.304 6.047 1.00 0.00 C ATOM 341 CG LEU A 26 118.294 -4.590 6.523 1.00 0.00 C ATOM 342 CD1 LEU A 26 118.647 -5.459 5.314 1.00 0.00 C ATOM 343 CD2 LEU A 26 119.573 -4.237 7.286 1.00 0.00 C ATOM 0 H LEU A 26 115.474 -1.649 5.649 1.00 0.00 H new ATOM 0 HA LEU A 26 116.239 -4.403 4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.186 -2.858 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.588 -2.574 6.856 1.00 0.00 H new ATOM 0 HG LEU A 26 117.617 -5.137 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 26 119.131 -6.375 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 26 117.737 -5.710 4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 26 119.324 -4.912 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 26 120.058 -5.152 7.626 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.249 -3.690 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 26 119.324 -3.617 8.147 1.00 0.00 H new ATOM 355 N LYS A 27 115.092 -5.395 6.846 1.00 0.00 N ATOM 356 CA LYS A 27 114.190 -5.916 7.873 1.00 0.00 C ATOM 357 C LYS A 27 114.823 -7.061 8.657 1.00 0.00 C ATOM 358 O LYS A 27 115.633 -7.825 8.132 1.00 0.00 O ATOM 359 CB LYS A 27 112.903 -6.425 7.219 1.00 0.00 C ATOM 360 CG LYS A 27 112.168 -5.262 6.551 1.00 0.00 C ATOM 361 CD LYS A 27 110.829 -5.755 6.002 1.00 0.00 C ATOM 362 CE LYS A 27 110.143 -4.625 5.233 1.00 0.00 C ATOM 363 NZ LYS A 27 110.858 -4.392 3.947 1.00 0.00 N ATOM 0 H LYS A 27 115.487 -6.102 6.226 1.00 0.00 H new ATOM 0 HA LYS A 27 113.976 -5.100 8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 27 113.138 -7.191 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 27 112.262 -6.890 7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 27 112.005 -4.459 7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 27 112.774 -4.849 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.986 -6.611 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 27 110.191 -6.092 6.819 1.00 0.00 H new ATOM 0 HE2 LYS A 27 109.101 -4.882 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 27 110.141 -3.713 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 111.182 -3.405 3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 111.678 -5.029 3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 110.214 -4.580 3.153 1.00 0.00 H new ATOM 377 N TYR A 28 114.433 -7.161 9.924 1.00 0.00 N ATOM 378 CA TYR A 28 114.805 -8.299 10.758 1.00 0.00 C ATOM 379 C TYR A 28 113.538 -8.905 11.354 1.00 0.00 C ATOM 380 O TYR A 28 112.628 -8.174 11.742 1.00 0.00 O ATOM 381 CB TYR A 28 115.766 -7.855 11.867 1.00 0.00 C ATOM 382 CG TYR A 28 115.144 -6.937 12.897 1.00 0.00 C ATOM 383 CD1 TYR A 28 114.537 -7.476 14.038 1.00 0.00 C ATOM 384 CD2 TYR A 28 115.180 -5.551 12.712 1.00 0.00 C ATOM 385 CE1 TYR A 28 113.965 -6.629 14.993 1.00 0.00 C ATOM 386 CE2 TYR A 28 114.606 -4.702 13.667 1.00 0.00 C ATOM 387 CZ TYR A 28 113.999 -5.240 14.807 1.00 0.00 C ATOM 388 OH TYR A 28 113.434 -4.405 15.749 1.00 0.00 O ATOM 0 H TYR A 28 113.857 -6.465 10.397 1.00 0.00 H new ATOM 0 HA TYR A 28 115.316 -9.048 10.153 1.00 0.00 H new ATOM 0 HB2 TYR A 28 116.153 -8.740 12.372 1.00 0.00 H new ATOM 0 HB3 TYR A 28 116.618 -7.349 11.413 1.00 0.00 H new ATOM 0 HD1 TYR A 28 114.510 -8.546 14.181 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.650 -5.135 11.833 1.00 0.00 H new ATOM 0 HE1 TYR A 28 113.497 -7.045 15.873 1.00 0.00 H new ATOM 0 HE2 TYR A 28 114.632 -3.632 13.523 1.00 0.00 H new ATOM 0 HH TYR A 28 113.545 -3.473 15.468 1.00 0.00 H new ATOM 398 N ARG A 29 113.479 -10.232 11.414 1.00 0.00 N ATOM 399 CA ARG A 29 112.255 -10.909 11.838 1.00 0.00 C ATOM 400 C ARG A 29 112.578 -12.092 12.743 1.00 0.00 C ATOM 401 O ARG A 29 113.583 -12.773 12.542 1.00 0.00 O ATOM 402 CB ARG A 29 111.490 -11.415 10.610 1.00 0.00 C ATOM 403 CG ARG A 29 111.190 -10.252 9.662 1.00 0.00 C ATOM 404 CD ARG A 29 110.354 -10.755 8.481 1.00 0.00 C ATOM 405 NE ARG A 29 109.006 -11.115 8.931 1.00 0.00 N ATOM 406 CZ ARG A 29 107.940 -11.148 8.120 1.00 0.00 C ATOM 407 NH1 ARG A 29 108.022 -10.857 6.843 1.00 0.00 N ATOM 408 NH2 ARG A 29 106.779 -11.481 8.615 1.00 0.00 N ATOM 0 H ARG A 29 114.252 -10.854 11.178 1.00 0.00 H new ATOM 0 HA ARG A 29 111.644 -10.195 12.390 1.00 0.00 H new ATOM 0 HB2 ARG A 29 112.078 -12.174 10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 29 110.560 -11.890 10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.652 -9.466 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 29 112.121 -9.814 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 29 110.295 -9.983 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 29 110.837 -11.620 8.027 1.00 0.00 H new ATOM 0 HE ARG A 29 108.873 -11.353 9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 29 108.920 -10.595 6.436 1.00 0.00 H new ATOM 0 HH12 ARG A 29 107.188 -10.893 6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 29 106.694 -11.711 9.605 1.00 0.00 H new ATOM 0 HH22 ARG A 29 105.957 -11.511 8.012 1.00 0.00 H new ATOM 422 N TYR A 30 111.729 -12.337 13.739 1.00 0.00 N ATOM 423 CA TYR A 30 111.901 -13.496 14.612 1.00 0.00 C ATOM 424 C TYR A 30 110.759 -14.481 14.392 1.00 0.00 C ATOM 425 O TYR A 30 109.619 -14.073 14.172 1.00 0.00 O ATOM 426 CB TYR A 30 111.917 -13.049 16.074 1.00 0.00 C ATOM 427 CG TYR A 30 113.062 -12.123 16.408 1.00 0.00 C ATOM 428 CD1 TYR A 30 114.284 -12.648 16.846 1.00 0.00 C ATOM 429 CD2 TYR A 30 112.903 -10.737 16.279 1.00 0.00 C ATOM 430 CE1 TYR A 30 115.345 -11.790 17.154 1.00 0.00 C ATOM 431 CE2 TYR A 30 113.963 -9.878 16.589 1.00 0.00 C ATOM 432 CZ TYR A 30 115.185 -10.406 17.026 1.00 0.00 C ATOM 433 OH TYR A 30 116.231 -9.558 17.331 1.00 0.00 O ATOM 0 H TYR A 30 110.922 -11.754 13.960 1.00 0.00 H new ATOM 0 HA TYR A 30 112.848 -13.982 14.375 1.00 0.00 H new ATOM 0 HB2 TYR A 30 110.976 -12.548 16.303 1.00 0.00 H new ATOM 0 HB3 TYR A 30 111.973 -13.929 16.714 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.407 -13.716 16.946 1.00 0.00 H new ATOM 0 HD2 TYR A 30 111.961 -10.331 15.940 1.00 0.00 H new ATOM 0 HE1 TYR A 30 116.288 -12.196 17.491 1.00 0.00 H new ATOM 0 HE2 TYR A 30 113.839 -8.810 16.492 1.00 0.00 H new ATOM 0 HH TYR A 30 115.952 -8.630 17.187 1.00 0.00 H new ATOM 443 N GLU A 31 111.065 -15.777 14.450 1.00 0.00 N ATOM 444 CA GLU A 31 110.030 -16.790 14.281 1.00 0.00 C ATOM 445 C GLU A 31 109.474 -17.187 15.644 1.00 0.00 C ATOM 446 O GLU A 31 110.221 -17.526 16.560 1.00 0.00 O ATOM 447 CB GLU A 31 110.588 -18.027 13.574 1.00 0.00 C ATOM 448 CG GLU A 31 109.431 -18.980 13.244 1.00 0.00 C ATOM 449 CD GLU A 31 109.922 -20.288 12.614 1.00 0.00 C ATOM 450 OE1 GLU A 31 111.123 -20.467 12.465 1.00 0.00 O ATOM 451 OE2 GLU A 31 109.077 -21.104 12.285 1.00 0.00 O ATOM 0 H GLU A 31 112.004 -16.143 14.610 1.00 0.00 H new ATOM 0 HA GLU A 31 109.234 -16.370 13.666 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.108 -17.736 12.661 1.00 0.00 H new ATOM 0 HB3 GLU A 31 111.318 -18.527 14.211 1.00 0.00 H new ATOM 0 HG2 GLU A 31 108.875 -19.203 14.155 1.00 0.00 H new ATOM 0 HG3 GLU A 31 108.739 -18.487 12.561 1.00 0.00 H new ATOM 458 N GLU A 32 108.151 -17.138 15.758 1.00 0.00 N ATOM 459 CA GLU A 32 107.481 -17.332 17.038 1.00 0.00 C ATOM 460 C GLU A 32 106.363 -18.362 16.930 1.00 0.00 C ATOM 461 O GLU A 32 105.782 -18.563 15.861 1.00 0.00 O ATOM 462 CB GLU A 32 106.922 -16.001 17.539 1.00 0.00 C ATOM 463 CG GLU A 32 108.079 -15.016 17.746 1.00 0.00 C ATOM 464 CD GLU A 32 109.057 -15.517 18.813 1.00 0.00 C ATOM 465 OE1 GLU A 32 108.691 -16.382 19.594 1.00 0.00 O ATOM 466 OE2 GLU A 32 110.172 -15.021 18.832 1.00 0.00 O ATOM 0 H GLU A 32 107.520 -16.965 14.976 1.00 0.00 H new ATOM 0 HA GLU A 32 108.215 -17.709 17.750 1.00 0.00 H new ATOM 0 HB2 GLU A 32 106.209 -15.598 16.819 1.00 0.00 H new ATOM 0 HB3 GLU A 32 106.382 -16.148 18.474 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.609 -14.872 16.804 1.00 0.00 H new ATOM 0 HG3 GLU A 32 107.683 -14.044 18.041 1.00 0.00 H new ATOM 473 N ASP A 33 106.071 -19.004 18.052 1.00 0.00 N ATOM 474 CA ASP A 33 105.076 -20.070 18.099 1.00 0.00 C ATOM 475 C ASP A 33 103.663 -19.500 18.023 1.00 0.00 C ATOM 476 O ASP A 33 103.468 -18.301 17.817 1.00 0.00 O ATOM 477 CB ASP A 33 105.235 -20.873 19.393 1.00 0.00 C ATOM 478 CG ASP A 33 106.598 -21.561 19.431 1.00 0.00 C ATOM 479 OD1 ASP A 33 107.096 -21.917 18.373 1.00 0.00 O ATOM 480 OD2 ASP A 33 107.127 -21.720 20.518 1.00 0.00 O ATOM 0 H ASP A 33 106.512 -18.804 18.950 1.00 0.00 H new ATOM 0 HA ASP A 33 105.234 -20.723 17.240 1.00 0.00 H new ATOM 0 HB2 ASP A 33 105.131 -20.212 20.253 1.00 0.00 H new ATOM 0 HB3 ASP A 33 104.443 -21.618 19.465 1.00 0.00 H new ATOM 485 N ASN A 34 102.680 -20.386 18.089 1.00 0.00 N ATOM 486 CA ASN A 34 101.283 -19.983 17.985 1.00 0.00 C ATOM 487 C ASN A 34 100.920 -18.874 18.975 1.00 0.00 C ATOM 488 O ASN A 34 100.128 -17.991 18.638 1.00 0.00 O ATOM 489 CB ASN A 34 100.383 -21.196 18.234 1.00 0.00 C ATOM 490 CG ASN A 34 98.934 -20.883 17.860 1.00 0.00 C ATOM 491 OD1 ASN A 34 98.562 -19.718 17.702 1.00 0.00 O ATOM 492 ND2 ASN A 34 98.089 -21.863 17.705 1.00 0.00 N ATOM 0 H ASN A 34 102.823 -21.388 18.214 1.00 0.00 H new ATOM 0 HA ASN A 34 101.131 -19.590 16.980 1.00 0.00 H new ATOM 0 HB2 ASN A 34 100.739 -22.045 17.650 1.00 0.00 H new ATOM 0 HB3 ASN A 34 100.438 -21.486 19.283 1.00 0.00 H new ATOM 0 HD21 ASN A 34 97.120 -21.666 17.453 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.396 -22.827 17.836 1.00 0.00 H new ATOM 499 N SER A 35 101.491 -18.902 20.182 1.00 0.00 N ATOM 500 CA SER A 35 101.021 -18.002 21.240 1.00 0.00 C ATOM 501 C SER A 35 101.797 -16.681 21.344 1.00 0.00 C ATOM 502 O SER A 35 101.231 -15.698 21.827 1.00 0.00 O ATOM 503 CB SER A 35 101.100 -18.726 22.585 1.00 0.00 C ATOM 504 OG SER A 35 100.048 -19.678 22.662 1.00 0.00 O ATOM 0 H SER A 35 102.258 -19.519 20.448 1.00 0.00 H new ATOM 0 HA SER A 35 99.997 -17.737 20.977 1.00 0.00 H new ATOM 0 HB2 SER A 35 102.065 -19.222 22.689 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.020 -18.010 23.403 1.00 0.00 H new ATOM 0 HG SER A 35 100.094 -20.147 23.521 1.00 0.00 H new ATOM 510 N PRO A 36 103.041 -16.601 20.931 1.00 0.00 N ATOM 511 CA PRO A 36 103.714 -15.287 20.722 1.00 0.00 C ATOM 512 C PRO A 36 103.803 -14.912 19.243 1.00 0.00 C ATOM 513 O PRO A 36 104.143 -15.739 18.399 1.00 0.00 O ATOM 514 CB PRO A 36 105.109 -15.500 21.334 1.00 0.00 C ATOM 515 CG PRO A 36 105.259 -16.973 21.568 1.00 0.00 C ATOM 516 CD PRO A 36 104.055 -17.660 20.922 1.00 0.00 C ATOM 0 HA PRO A 36 103.167 -14.463 21.179 1.00 0.00 H new ATOM 0 HB2 PRO A 36 105.886 -15.134 20.662 1.00 0.00 H new ATOM 0 HB3 PRO A 36 105.210 -14.948 22.268 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.189 -17.339 21.133 1.00 0.00 H new ATOM 0 HG3 PRO A 36 105.299 -17.191 22.635 1.00 0.00 H new ATOM 0 HD2 PRO A 36 104.277 -18.000 19.911 1.00 0.00 H new ATOM 0 HD3 PRO A 36 103.734 -18.534 21.489 1.00 0.00 H new ATOM 524 N LEU A 37 103.484 -13.654 18.941 1.00 0.00 N ATOM 525 CA LEU A 37 103.516 -13.162 17.565 1.00 0.00 C ATOM 526 C LEU A 37 104.947 -12.870 17.127 1.00 0.00 C ATOM 527 O LEU A 37 105.834 -12.691 17.960 1.00 0.00 O ATOM 528 CB LEU A 37 102.675 -11.888 17.443 1.00 0.00 C ATOM 529 CG LEU A 37 101.240 -12.158 17.907 1.00 0.00 C ATOM 530 CD1 LEU A 37 100.441 -10.854 17.866 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.578 -13.180 16.978 1.00 0.00 C ATOM 0 H LEU A 37 103.201 -12.958 19.630 1.00 0.00 H new ATOM 0 HA LEU A 37 103.102 -13.935 16.918 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.116 -11.093 18.044 1.00 0.00 H new ATOM 0 HB3 LEU A 37 102.672 -11.542 16.409 1.00 0.00 H new ATOM 0 HG LEU A 37 101.259 -12.550 18.924 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.419 -11.043 18.196 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.906 -10.122 18.526 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.428 -10.467 16.847 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.558 -13.368 17.312 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.560 -12.789 15.961 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.144 -14.111 16.999 1.00 0.00 H new ATOM 543 N GLY A 38 105.164 -12.803 15.814 1.00 0.00 N ATOM 544 CA GLY A 38 106.506 -12.590 15.280 1.00 0.00 C ATOM 545 C GLY A 38 106.877 -11.114 15.351 1.00 0.00 C ATOM 546 O GLY A 38 106.040 -10.257 15.082 1.00 0.00 O ATOM 0 H GLY A 38 104.434 -12.892 15.107 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.227 -13.181 15.845 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.552 -12.934 14.247 1.00 0.00 H new ATOM 550 N VAL A 39 108.128 -10.810 15.698 1.00 0.00 N ATOM 551 CA VAL A 39 108.537 -9.418 15.865 1.00 0.00 C ATOM 552 C VAL A 39 109.327 -8.974 14.642 1.00 0.00 C ATOM 553 O VAL A 39 110.318 -9.604 14.275 1.00 0.00 O ATOM 554 CB VAL A 39 109.400 -9.266 17.123 1.00 0.00 C ATOM 555 CG1 VAL A 39 109.747 -7.791 17.339 1.00 0.00 C ATOM 556 CG2 VAL A 39 108.632 -9.781 18.344 1.00 0.00 C ATOM 0 H VAL A 39 108.863 -11.497 15.866 1.00 0.00 H new ATOM 0 HA VAL A 39 107.649 -8.795 15.973 1.00 0.00 H new ATOM 0 HB VAL A 39 110.315 -9.843 16.994 1.00 0.00 H new ATOM 0 HG11 VAL A 39 110.360 -7.689 18.234 1.00 0.00 H new ATOM 0 HG12 VAL A 39 110.299 -7.417 16.477 1.00 0.00 H new ATOM 0 HG13 VAL A 39 108.829 -7.215 17.460 1.00 0.00 H new ATOM 0 HG21 VAL A 39 109.250 -9.671 19.235 1.00 0.00 H new ATOM 0 HG22 VAL A 39 107.714 -9.206 18.465 1.00 0.00 H new ATOM 0 HG23 VAL A 39 108.385 -10.833 18.201 1.00 0.00 H new ATOM 566 N ILE A 40 108.890 -7.885 14.008 1.00 0.00 N ATOM 567 CA ILE A 40 109.569 -7.392 12.813 1.00 0.00 C ATOM 568 C ILE A 40 109.896 -5.911 12.961 1.00 0.00 C ATOM 569 O ILE A 40 109.120 -5.156 13.546 1.00 0.00 O ATOM 570 CB ILE A 40 108.690 -7.627 11.578 1.00 0.00 C ATOM 571 CG1 ILE A 40 107.371 -6.860 11.704 1.00 0.00 C ATOM 572 CG2 ILE A 40 108.384 -9.121 11.450 1.00 0.00 C ATOM 573 CD1 ILE A 40 106.636 -6.882 10.364 1.00 0.00 C ATOM 0 H ILE A 40 108.081 -7.336 14.298 1.00 0.00 H new ATOM 0 HA ILE A 40 110.504 -7.938 12.688 1.00 0.00 H new ATOM 0 HB ILE A 40 109.226 -7.274 10.697 1.00 0.00 H new ATOM 0 HG12 ILE A 40 106.750 -7.309 12.479 1.00 0.00 H new ATOM 0 HG13 ILE A 40 107.564 -5.831 12.008 1.00 0.00 H new ATOM 0 HG21 ILE A 40 107.759 -9.291 10.573 1.00 0.00 H new ATOM 0 HG22 ILE A 40 109.316 -9.676 11.344 1.00 0.00 H new ATOM 0 HG23 ILE A 40 107.858 -9.462 12.342 1.00 0.00 H new ATOM 0 HD11 ILE A 40 105.697 -6.336 10.455 1.00 0.00 H new ATOM 0 HD12 ILE A 40 107.257 -6.412 9.601 1.00 0.00 H new ATOM 0 HD13 ILE A 40 106.429 -7.914 10.079 1.00 0.00 H new ATOM 585 N GLY A 41 111.047 -5.514 12.434 1.00 0.00 N ATOM 586 CA GLY A 41 111.443 -4.110 12.435 1.00 0.00 C ATOM 587 C GLY A 41 112.112 -3.758 11.114 1.00 0.00 C ATOM 588 O GLY A 41 112.813 -4.587 10.535 1.00 0.00 O ATOM 0 H GLY A 41 111.723 -6.143 12.001 1.00 0.00 H new ATOM 0 HA2 GLY A 41 110.569 -3.477 12.590 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.127 -3.917 13.261 1.00 0.00 H new ATOM 592 N SER A 42 111.901 -2.532 10.643 1.00 0.00 N ATOM 593 CA SER A 42 112.436 -2.127 9.348 1.00 0.00 C ATOM 594 C SER A 42 113.015 -0.720 9.408 1.00 0.00 C ATOM 595 O SER A 42 112.460 0.160 10.066 1.00 0.00 O ATOM 596 CB SER A 42 111.328 -2.165 8.295 1.00 0.00 C ATOM 597 OG SER A 42 111.903 -2.011 7.006 1.00 0.00 O ATOM 0 H SER A 42 111.371 -1.811 11.132 1.00 0.00 H new ATOM 0 HA SER A 42 113.232 -2.822 9.081 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.786 -3.109 8.354 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.606 -1.370 8.481 1.00 0.00 H new ATOM 0 HG SER A 42 112.824 -2.346 7.016 1.00 0.00 H new ATOM 603 N PHE A 43 114.133 -0.526 8.716 1.00 0.00 N ATOM 604 CA PHE A 43 114.742 0.793 8.595 1.00 0.00 C ATOM 605 C PHE A 43 114.656 1.246 7.145 1.00 0.00 C ATOM 606 O PHE A 43 114.986 0.481 6.239 1.00 0.00 O ATOM 607 CB PHE A 43 116.208 0.736 9.031 1.00 0.00 C ATOM 608 CG PHE A 43 116.392 0.317 10.471 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.534 -1.037 10.792 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.420 1.284 11.483 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.706 -1.426 12.126 1.00 0.00 C ATOM 612 CE2 PHE A 43 116.591 0.896 12.816 1.00 0.00 C ATOM 613 CZ PHE A 43 116.735 -0.459 13.138 1.00 0.00 C ATOM 0 H PHE A 43 114.636 -1.268 8.229 1.00 0.00 H new ATOM 0 HA PHE A 43 114.213 1.498 9.236 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.744 0.039 8.387 1.00 0.00 H new ATOM 0 HB3 PHE A 43 116.661 1.717 8.885 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.511 -1.782 10.011 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.310 2.329 11.235 1.00 0.00 H new ATOM 0 HE1 PHE A 43 116.816 -2.471 12.374 1.00 0.00 H new ATOM 0 HE2 PHE A 43 116.612 1.642 13.597 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.868 -0.758 14.167 1.00 0.00 H new ATOM 623 N THR A 44 114.198 2.479 6.925 1.00 0.00 N ATOM 624 CA THR A 44 114.024 2.991 5.568 1.00 0.00 C ATOM 625 C THR A 44 114.765 4.310 5.383 1.00 0.00 C ATOM 626 O THR A 44 114.709 5.187 6.243 1.00 0.00 O ATOM 627 CB THR A 44 112.535 3.200 5.284 1.00 0.00 C ATOM 628 OG1 THR A 44 111.829 2.000 5.562 1.00 0.00 O ATOM 629 CG2 THR A 44 112.339 3.578 3.815 1.00 0.00 C ATOM 0 H THR A 44 113.943 3.136 7.663 1.00 0.00 H new ATOM 0 HA THR A 44 114.436 2.261 4.871 1.00 0.00 H new ATOM 0 HB THR A 44 112.155 4.002 5.916 1.00 0.00 H new ATOM 0 HG1 THR A 44 110.875 2.133 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.278 3.726 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.880 4.500 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 44 112.719 2.778 3.180 1.00 0.00 H new ATOM 637 N TYR A 45 115.458 4.427 4.251 1.00 0.00 N ATOM 638 CA TYR A 45 116.154 5.660 3.896 1.00 0.00 C ATOM 639 C TYR A 45 115.725 6.098 2.499 1.00 0.00 C ATOM 640 O TYR A 45 115.728 5.282 1.580 1.00 0.00 O ATOM 641 CB TYR A 45 117.664 5.416 3.922 1.00 0.00 C ATOM 642 CG TYR A 45 118.488 6.634 3.579 1.00 0.00 C ATOM 643 CD1 TYR A 45 118.833 7.552 4.579 1.00 0.00 C ATOM 644 CD2 TYR A 45 118.912 6.842 2.261 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.601 8.676 4.260 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.681 7.967 1.943 1.00 0.00 C ATOM 647 CZ TYR A 45 120.026 8.884 2.943 1.00 0.00 C ATOM 648 OH TYR A 45 120.785 9.993 2.629 1.00 0.00 O ATOM 0 H TYR A 45 115.552 3.680 3.563 1.00 0.00 H new ATOM 0 HA TYR A 45 115.904 6.443 4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 45 117.948 5.065 4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 45 117.905 4.617 3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.506 7.392 5.596 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.646 6.134 1.490 1.00 0.00 H new ATOM 0 HE1 TYR A 45 119.866 9.384 5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 45 120.008 8.128 0.926 1.00 0.00 H new ATOM 0 HH TYR A 45 120.996 9.985 1.672 1.00 0.00 H new ATOM 658 N THR A 46 115.372 7.374 2.331 1.00 0.00 N ATOM 659 CA THR A 46 114.818 7.842 1.058 1.00 0.00 C ATOM 660 C THR A 46 115.769 8.805 0.358 1.00 0.00 C ATOM 661 O THR A 46 116.503 9.553 1.004 1.00 0.00 O ATOM 662 CB THR A 46 113.483 8.548 1.297 1.00 0.00 C ATOM 663 OG1 THR A 46 112.686 7.769 2.178 1.00 0.00 O ATOM 664 CG2 THR A 46 112.750 8.720 -0.034 1.00 0.00 C ATOM 0 H THR A 46 115.458 8.093 3.049 1.00 0.00 H new ATOM 0 HA THR A 46 114.673 6.970 0.421 1.00 0.00 H new ATOM 0 HB THR A 46 113.665 9.527 1.740 1.00 0.00 H new ATOM 0 HG1 THR A 46 111.831 8.222 2.333 1.00 0.00 H new ATOM 0 HG21 THR A 46 111.798 9.223 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.360 9.318 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 46 112.568 7.741 -0.478 1.00 0.00 H new ATOM 672 N GLU A 47 115.750 8.778 -0.972 1.00 0.00 N ATOM 673 CA GLU A 47 116.602 9.655 -1.765 1.00 0.00 C ATOM 674 C GLU A 47 115.798 10.289 -2.894 1.00 0.00 C ATOM 675 O GLU A 47 114.928 9.645 -3.483 1.00 0.00 O ATOM 676 CB GLU A 47 117.770 8.859 -2.353 1.00 0.00 C ATOM 677 CG GLU A 47 118.757 9.819 -3.028 1.00 0.00 C ATOM 678 CD GLU A 47 119.906 9.072 -3.717 1.00 0.00 C ATOM 679 OE1 GLU A 47 119.922 7.850 -3.696 1.00 0.00 O ATOM 680 OE2 GLU A 47 120.765 9.745 -4.261 1.00 0.00 O ATOM 0 H GLU A 47 115.154 8.159 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 47 116.991 10.441 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 47 118.273 8.297 -1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 47 117.401 8.132 -3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.227 10.426 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 47 119.164 10.503 -2.283 1.00 0.00 H new ATOM 687 N LYS A 48 116.077 11.559 -3.167 1.00 0.00 N ATOM 688 CA LYS A 48 115.409 12.275 -4.246 1.00 0.00 C ATOM 689 C LYS A 48 116.428 13.046 -5.078 1.00 0.00 C ATOM 690 O LYS A 48 117.475 13.449 -4.571 1.00 0.00 O ATOM 691 CB LYS A 48 114.380 13.250 -3.670 1.00 0.00 C ATOM 692 CG LYS A 48 113.358 12.480 -2.830 1.00 0.00 C ATOM 693 CD LYS A 48 112.197 13.406 -2.453 1.00 0.00 C ATOM 694 CE LYS A 48 112.701 14.528 -1.543 1.00 0.00 C ATOM 695 NZ LYS A 48 111.579 15.019 -0.693 1.00 0.00 N ATOM 0 H LYS A 48 116.762 12.114 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 48 114.903 11.549 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 48 114.879 14.000 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 48 113.876 13.782 -4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 48 112.985 11.622 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 48 113.833 12.091 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 48 111.750 13.829 -3.353 1.00 0.00 H new ATOM 0 HD3 LYS A 48 111.417 12.838 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 48 113.515 14.164 -0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 113.102 15.345 -2.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 111.485 16.049 -0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 110.694 14.557 -0.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 111.774 14.794 0.303 1.00 0.00 H new ATOM 709 N SER A 49 116.128 13.236 -6.358 1.00 0.00 N ATOM 710 CA SER A 49 117.008 14.005 -7.230 1.00 0.00 C ATOM 711 C SER A 49 116.192 14.860 -8.193 1.00 0.00 C ATOM 712 O SER A 49 115.289 14.363 -8.864 1.00 0.00 O ATOM 713 CB SER A 49 117.913 13.061 -8.022 1.00 0.00 C ATOM 714 OG SER A 49 118.910 13.820 -8.689 1.00 0.00 O ATOM 0 H SER A 49 115.290 12.872 -6.812 1.00 0.00 H new ATOM 0 HA SER A 49 117.621 14.660 -6.611 1.00 0.00 H new ATOM 0 HB2 SER A 49 118.377 12.337 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 49 117.325 12.496 -8.745 1.00 0.00 H new ATOM 0 HG SER A 49 118.949 13.552 -9.631 1.00 0.00 H new ATOM 720 N ARG A 50 116.513 16.148 -8.256 1.00 0.00 N ATOM 721 CA ARG A 50 115.805 17.055 -9.152 1.00 0.00 C ATOM 722 C ARG A 50 115.981 16.619 -10.603 1.00 0.00 C ATOM 723 O ARG A 50 115.035 16.640 -11.390 1.00 0.00 O ATOM 724 CB ARG A 50 116.336 18.479 -8.979 1.00 0.00 C ATOM 725 CG ARG A 50 116.070 18.953 -7.548 1.00 0.00 C ATOM 726 CD ARG A 50 116.510 20.410 -7.400 1.00 0.00 C ATOM 727 NE ARG A 50 116.457 20.814 -5.993 1.00 0.00 N ATOM 728 CZ ARG A 50 116.782 22.044 -5.562 1.00 0.00 C ATOM 729 NH1 ARG A 50 117.177 22.990 -6.381 1.00 0.00 N ATOM 730 NH2 ARG A 50 116.702 22.305 -4.287 1.00 0.00 N ATOM 0 H ARG A 50 117.251 16.584 -7.703 1.00 0.00 H new ATOM 0 HA ARG A 50 114.744 17.029 -8.902 1.00 0.00 H new ATOM 0 HB2 ARG A 50 117.405 18.508 -9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 50 115.852 19.148 -9.691 1.00 0.00 H new ATOM 0 HG2 ARG A 50 115.010 18.857 -7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 50 116.611 18.325 -6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 50 117.523 20.532 -7.783 1.00 0.00 H new ATOM 0 HD3 ARG A 50 115.864 21.055 -7.996 1.00 0.00 H new ATOM 0 HE ARG A 50 116.157 20.124 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 50 117.245 22.803 -7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 50 117.416 23.913 -6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 50 116.397 21.581 -3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 50 116.945 23.233 -3.940 1.00 0.00 H new ATOM 744 N THR A 51 117.204 16.223 -10.950 1.00 0.00 N ATOM 745 CA THR A 51 117.499 15.741 -12.295 1.00 0.00 C ATOM 746 C THR A 51 118.313 14.454 -12.219 1.00 0.00 C ATOM 747 O THR A 51 118.872 14.128 -11.173 1.00 0.00 O ATOM 748 CB THR A 51 118.282 16.798 -13.078 1.00 0.00 C ATOM 749 OG1 THR A 51 119.535 17.020 -12.448 1.00 0.00 O ATOM 750 CG2 THR A 51 117.488 18.105 -13.123 1.00 0.00 C ATOM 0 H THR A 51 118.005 16.227 -10.318 1.00 0.00 H new ATOM 0 HA THR A 51 116.558 15.544 -12.809 1.00 0.00 H new ATOM 0 HB THR A 51 118.445 16.446 -14.097 1.00 0.00 H new ATOM 0 HG1 THR A 51 120.038 17.695 -12.949 1.00 0.00 H new ATOM 0 HG21 THR A 51 118.050 18.853 -13.681 1.00 0.00 H new ATOM 0 HG22 THR A 51 116.529 17.932 -13.612 1.00 0.00 H new ATOM 0 HG23 THR A 51 117.318 18.462 -12.107 1.00 0.00 H new ATOM 758 N ALA A 52 118.380 13.727 -13.330 1.00 0.00 N ATOM 759 CA ALA A 52 119.153 12.491 -13.368 1.00 0.00 C ATOM 760 C ALA A 52 120.631 12.797 -13.587 1.00 0.00 C ATOM 761 O ALA A 52 121.085 12.936 -14.725 1.00 0.00 O ATOM 762 CB ALA A 52 118.644 11.587 -14.493 1.00 0.00 C ATOM 0 H ALA A 52 117.915 13.968 -14.205 1.00 0.00 H new ATOM 0 HA ALA A 52 119.034 11.979 -12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 52 119.228 10.667 -14.513 1.00 0.00 H new ATOM 0 HB2 ALA A 52 117.595 11.347 -14.321 1.00 0.00 H new ATOM 0 HB3 ALA A 52 118.746 12.102 -15.448 1.00 0.00 H new ATOM 768 N SER A 53 121.376 12.901 -12.492 1.00 0.00 N ATOM 769 CA SER A 53 122.804 13.187 -12.575 1.00 0.00 C ATOM 770 C SER A 53 123.482 12.931 -11.235 1.00 0.00 C ATOM 771 O SER A 53 122.927 13.238 -10.179 1.00 0.00 O ATOM 772 CB SER A 53 123.022 14.644 -12.990 1.00 0.00 C ATOM 773 OG SER A 53 124.411 14.872 -13.178 1.00 0.00 O ATOM 0 H SER A 53 121.018 12.793 -11.543 1.00 0.00 H new ATOM 0 HA SER A 53 123.244 12.527 -13.322 1.00 0.00 H new ATOM 0 HB2 SER A 53 122.478 14.858 -13.910 1.00 0.00 H new ATOM 0 HB3 SER A 53 122.631 15.315 -12.225 1.00 0.00 H new ATOM 0 HG SER A 53 124.556 15.803 -13.446 1.00 0.00 H new ATOM 779 N SER A 54 124.683 12.366 -11.283 1.00 0.00 N ATOM 780 CA SER A 54 125.441 12.096 -10.064 1.00 0.00 C ATOM 781 C SER A 54 125.722 13.383 -9.289 1.00 0.00 C ATOM 782 O SER A 54 125.726 13.385 -8.059 1.00 0.00 O ATOM 783 CB SER A 54 126.763 11.415 -10.418 1.00 0.00 C ATOM 784 OG SER A 54 126.499 10.246 -11.181 1.00 0.00 O ATOM 0 H SER A 54 125.151 12.087 -12.145 1.00 0.00 H new ATOM 0 HA SER A 54 124.843 11.439 -9.433 1.00 0.00 H new ATOM 0 HB2 SER A 54 127.397 12.097 -10.984 1.00 0.00 H new ATOM 0 HB3 SER A 54 127.306 11.155 -9.509 1.00 0.00 H new ATOM 0 HG SER A 54 127.345 9.808 -11.411 1.00 0.00 H new ATOM 790 N GLY A 55 125.955 14.477 -10.012 1.00 0.00 N ATOM 791 CA GLY A 55 126.281 15.751 -9.379 1.00 0.00 C ATOM 792 C GLY A 55 125.081 16.367 -8.658 1.00 0.00 C ATOM 793 O GLY A 55 125.253 17.100 -7.683 1.00 0.00 O ATOM 0 H GLY A 55 125.924 14.506 -11.031 1.00 0.00 H new ATOM 0 HA2 GLY A 55 127.093 15.603 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 55 126.644 16.447 -10.135 1.00 0.00 H new ATOM 797 N ASP A 56 123.873 16.083 -9.138 1.00 0.00 N ATOM 798 CA ASP A 56 122.671 16.657 -8.539 1.00 0.00 C ATOM 799 C ASP A 56 122.269 15.891 -7.284 1.00 0.00 C ATOM 800 O ASP A 56 121.911 14.715 -7.348 1.00 0.00 O ATOM 801 CB ASP A 56 121.522 16.624 -9.550 1.00 0.00 C ATOM 802 CG ASP A 56 120.300 17.329 -8.971 1.00 0.00 C ATOM 803 OD1 ASP A 56 120.233 18.543 -9.084 1.00 0.00 O ATOM 804 OD2 ASP A 56 119.450 16.647 -8.423 1.00 0.00 O ATOM 0 H ASP A 56 123.701 15.466 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 56 122.886 17.689 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 56 121.828 17.110 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 56 121.274 15.592 -9.798 1.00 0.00 H new ATOM 809 N TYR A 57 122.329 16.570 -6.140 1.00 0.00 N ATOM 810 CA TYR A 57 121.934 15.969 -4.869 1.00 0.00 C ATOM 811 C TYR A 57 120.795 16.764 -4.238 1.00 0.00 C ATOM 812 O TYR A 57 120.790 17.994 -4.278 1.00 0.00 O ATOM 813 CB TYR A 57 123.123 15.947 -3.906 1.00 0.00 C ATOM 814 CG TYR A 57 124.306 15.158 -4.417 1.00 0.00 C ATOM 815 CD1 TYR A 57 125.294 15.791 -5.177 1.00 0.00 C ATOM 816 CD2 TYR A 57 124.411 13.792 -4.128 1.00 0.00 C ATOM 817 CE1 TYR A 57 126.393 15.061 -5.647 1.00 0.00 C ATOM 818 CE2 TYR A 57 125.509 13.060 -4.598 1.00 0.00 C ATOM 819 CZ TYR A 57 126.500 13.695 -5.358 1.00 0.00 C ATOM 820 OH TYR A 57 127.581 12.975 -5.822 1.00 0.00 O ATOM 0 H TYR A 57 122.647 17.536 -6.068 1.00 0.00 H new ATOM 0 HA TYR A 57 121.600 14.949 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 57 123.439 16.972 -3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 57 122.800 15.525 -2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 57 125.210 16.844 -5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.646 13.303 -3.543 1.00 0.00 H new ATOM 0 HE1 TYR A 57 127.157 15.551 -6.232 1.00 0.00 H new ATOM 0 HE2 TYR A 57 125.592 12.007 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 57 127.468 12.795 -6.779 1.00 0.00 H new ATOM 830 N ASN A 58 119.830 16.057 -3.656 1.00 0.00 N ATOM 831 CA ASN A 58 118.703 16.713 -2.997 1.00 0.00 C ATOM 832 C ASN A 58 118.888 16.697 -1.482 1.00 0.00 C ATOM 833 O ASN A 58 119.156 15.653 -0.887 1.00 0.00 O ATOM 834 CB ASN A 58 117.399 16.006 -3.367 1.00 0.00 C ATOM 835 CG ASN A 58 116.214 16.928 -3.093 1.00 0.00 C ATOM 836 OD1 ASN A 58 115.214 16.496 -2.375 1.00 0.00 O flip ATOM 837 ND2 ASN A 58 116.199 18.072 -3.548 1.00 0.00 N flip ATOM 0 H ASN A 58 119.805 15.038 -3.627 1.00 0.00 H new ATOM 0 HA ASN A 58 118.659 17.749 -3.334 1.00 0.00 H new ATOM 0 HB2 ASN A 58 117.415 15.722 -4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 58 117.297 15.087 -2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 58 116.982 18.408 -4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 58 115.404 18.684 -3.364 1.00 0.00 H new ATOM 844 N LYS A 59 118.743 17.866 -0.867 1.00 0.00 N ATOM 845 CA LYS A 59 118.959 18.011 0.569 1.00 0.00 C ATOM 846 C LYS A 59 118.032 17.108 1.382 1.00 0.00 C ATOM 847 O LYS A 59 118.411 16.620 2.445 1.00 0.00 O ATOM 848 CB LYS A 59 118.729 19.467 0.977 1.00 0.00 C ATOM 849 CG LYS A 59 119.764 20.361 0.290 1.00 0.00 C ATOM 850 CD LYS A 59 119.599 21.802 0.779 1.00 0.00 C ATOM 851 CE LYS A 59 120.549 22.715 0.002 1.00 0.00 C ATOM 852 NZ LYS A 59 120.200 22.677 -1.445 1.00 0.00 N ATOM 0 H LYS A 59 118.476 18.729 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 59 119.986 17.714 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 59 117.722 19.779 0.699 1.00 0.00 H new ATOM 0 HB3 LYS A 59 118.807 19.569 2.059 1.00 0.00 H new ATOM 0 HG2 LYS A 59 120.771 20.005 0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 59 119.638 20.316 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 59 118.568 22.129 0.640 1.00 0.00 H new ATOM 0 HD3 LYS A 59 119.811 21.862 1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 59 120.478 23.736 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 59 121.580 22.393 0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 120.517 23.556 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 120.669 21.865 -1.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 119.170 22.584 -1.551 1.00 0.00 H new ATOM 866 N ASN A 60 116.818 16.889 0.884 1.00 0.00 N ATOM 867 CA ASN A 60 115.820 16.135 1.636 1.00 0.00 C ATOM 868 C ASN A 60 116.290 14.712 1.922 1.00 0.00 C ATOM 869 O ASN A 60 116.378 13.882 1.017 1.00 0.00 O ATOM 870 CB ASN A 60 114.509 16.081 0.851 1.00 0.00 C ATOM 871 CG ASN A 60 113.914 17.479 0.723 1.00 0.00 C ATOM 872 OD1 ASN A 60 113.356 18.036 1.762 1.00 0.00 O flip ATOM 873 ND2 ASN A 60 113.953 18.076 -0.352 1.00 0.00 N flip ATOM 0 H ASN A 60 116.504 17.219 -0.028 1.00 0.00 H new ATOM 0 HA ASN A 60 115.668 16.645 2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 60 114.687 15.661 -0.139 1.00 0.00 H new ATOM 0 HB3 ASN A 60 113.802 15.422 1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 60 114.390 17.638 -1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 60 113.548 19.009 -0.432 1.00 0.00 H new ATOM 880 N GLN A 61 116.591 14.439 3.190 1.00 0.00 N ATOM 881 CA GLN A 61 116.948 13.089 3.619 1.00 0.00 C ATOM 882 C GLN A 61 115.905 12.578 4.607 1.00 0.00 C ATOM 883 O GLN A 61 115.519 13.306 5.519 1.00 0.00 O ATOM 884 CB GLN A 61 118.324 13.113 4.289 1.00 0.00 C ATOM 885 CG GLN A 61 118.769 11.686 4.612 1.00 0.00 C ATOM 886 CD GLN A 61 120.055 11.720 5.430 1.00 0.00 C ATOM 887 OE1 GLN A 61 120.054 12.179 6.572 1.00 0.00 O ATOM 888 NE2 GLN A 61 121.162 11.265 4.910 1.00 0.00 N ATOM 0 H GLN A 61 116.595 15.134 3.937 1.00 0.00 H new ATOM 0 HA GLN A 61 116.980 12.428 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 61 119.050 13.590 3.631 1.00 0.00 H new ATOM 0 HB3 GLN A 61 118.283 13.706 5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 61 117.987 11.168 5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 61 118.928 11.127 3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 61 121.162 10.885 3.964 1.00 0.00 H new ATOM 0 HE22 GLN A 61 122.027 11.290 5.450 1.00 0.00 H new ATOM 897 N TYR A 62 115.432 11.343 4.426 1.00 0.00 N ATOM 898 CA TYR A 62 114.402 10.796 5.311 1.00 0.00 C ATOM 899 C TYR A 62 114.864 9.490 5.951 1.00 0.00 C ATOM 900 O TYR A 62 115.478 8.646 5.298 1.00 0.00 O ATOM 901 CB TYR A 62 113.115 10.543 4.524 1.00 0.00 C ATOM 902 CG TYR A 62 112.574 11.777 3.842 1.00 0.00 C ATOM 903 CD1 TYR A 62 112.979 12.092 2.538 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.669 12.608 4.513 1.00 0.00 C ATOM 905 CE1 TYR A 62 112.476 13.236 1.907 1.00 0.00 C ATOM 906 CE2 TYR A 62 111.167 13.750 3.882 1.00 0.00 C ATOM 907 CZ TYR A 62 111.569 14.065 2.578 1.00 0.00 C ATOM 908 OH TYR A 62 111.074 15.193 1.956 1.00 0.00 O ATOM 0 H TYR A 62 115.740 10.711 3.687 1.00 0.00 H new ATOM 0 HA TYR A 62 114.216 11.526 6.099 1.00 0.00 H new ATOM 0 HB2 TYR A 62 113.302 9.775 3.773 1.00 0.00 H new ATOM 0 HB3 TYR A 62 112.356 10.149 5.200 1.00 0.00 H new ATOM 0 HD1 TYR A 62 113.679 11.453 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.358 12.367 5.519 1.00 0.00 H new ATOM 0 HE1 TYR A 62 112.788 13.479 0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 62 110.469 14.390 4.401 1.00 0.00 H new ATOM 0 HH TYR A 62 110.456 15.655 2.560 1.00 0.00 H new ATOM 918 N TYR A 63 114.562 9.338 7.237 1.00 0.00 N ATOM 919 CA TYR A 63 114.892 8.112 7.952 1.00 0.00 C ATOM 920 C TYR A 63 113.727 7.721 8.855 1.00 0.00 C ATOM 921 O TYR A 63 113.202 8.561 9.582 1.00 0.00 O ATOM 922 CB TYR A 63 116.152 8.329 8.793 1.00 0.00 C ATOM 923 CG TYR A 63 116.637 7.083 9.494 1.00 0.00 C ATOM 924 CD1 TYR A 63 117.457 6.171 8.816 1.00 0.00 C ATOM 925 CD2 TYR A 63 116.271 6.841 10.822 1.00 0.00 C ATOM 926 CE1 TYR A 63 117.910 5.019 9.469 1.00 0.00 C ATOM 927 CE2 TYR A 63 116.722 5.688 11.475 1.00 0.00 C ATOM 928 CZ TYR A 63 117.543 4.777 10.797 1.00 0.00 C ATOM 929 OH TYR A 63 117.991 3.641 11.442 1.00 0.00 O ATOM 0 H TYR A 63 114.092 10.045 7.802 1.00 0.00 H new ATOM 0 HA TYR A 63 115.076 7.312 7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.947 8.706 8.149 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.953 9.100 9.538 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.739 6.357 7.790 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.640 7.545 11.344 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.543 4.317 8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 63 116.438 5.501 12.500 1.00 0.00 H new ATOM 0 HH TYR A 63 117.708 2.847 10.941 1.00 0.00 H new ATOM 939 N GLY A 64 113.302 6.462 8.783 1.00 0.00 N ATOM 940 CA GLY A 64 112.172 6.008 9.595 1.00 0.00 C ATOM 941 C GLY A 64 112.418 4.627 10.192 1.00 0.00 C ATOM 942 O GLY A 64 113.097 3.795 9.590 1.00 0.00 O ATOM 0 H GLY A 64 113.713 5.748 8.182 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.991 6.723 10.397 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.271 5.983 8.982 1.00 0.00 H new ATOM 946 N ILE A 65 111.849 4.395 11.374 1.00 0.00 N ATOM 947 CA ILE A 65 111.944 3.091 12.032 1.00 0.00 C ATOM 948 C ILE A 65 110.544 2.596 12.382 1.00 0.00 C ATOM 949 O ILE A 65 109.790 3.297 13.056 1.00 0.00 O ATOM 950 CB ILE A 65 112.785 3.200 13.311 1.00 0.00 C ATOM 951 CG1 ILE A 65 114.167 3.771 12.977 1.00 0.00 C ATOM 952 CG2 ILE A 65 112.957 1.811 13.933 1.00 0.00 C ATOM 953 CD1 ILE A 65 114.935 4.039 14.274 1.00 0.00 C ATOM 0 H ILE A 65 111.318 5.092 11.896 1.00 0.00 H new ATOM 0 HA ILE A 65 112.425 2.386 11.354 1.00 0.00 H new ATOM 0 HB ILE A 65 112.277 3.860 14.014 1.00 0.00 H new ATOM 0 HG12 ILE A 65 114.721 3.070 12.352 1.00 0.00 H new ATOM 0 HG13 ILE A 65 114.063 4.694 12.406 1.00 0.00 H new ATOM 0 HG21 ILE A 65 113.555 1.890 14.841 1.00 0.00 H new ATOM 0 HG22 ILE A 65 111.978 1.398 14.178 1.00 0.00 H new ATOM 0 HG23 ILE A 65 113.461 1.154 13.224 1.00 0.00 H new ATOM 0 HD11 ILE A 65 115.918 4.445 14.037 1.00 0.00 H new ATOM 0 HD12 ILE A 65 114.383 4.756 14.882 1.00 0.00 H new ATOM 0 HD13 ILE A 65 115.051 3.107 14.827 1.00 0.00 H new ATOM 965 N THR A 66 110.185 1.407 11.897 1.00 0.00 N ATOM 966 CA THR A 66 108.868 0.834 12.174 1.00 0.00 C ATOM 967 C THR A 66 108.989 -0.544 12.824 1.00 0.00 C ATOM 968 O THR A 66 109.984 -1.239 12.635 1.00 0.00 O ATOM 969 CB THR A 66 108.058 0.744 10.875 1.00 0.00 C ATOM 970 OG1 THR A 66 106.748 0.282 11.168 1.00 0.00 O ATOM 971 CG2 THR A 66 108.732 -0.209 9.884 1.00 0.00 C ATOM 0 H THR A 66 110.785 0.824 11.313 1.00 0.00 H new ATOM 0 HA THR A 66 108.350 1.487 12.876 1.00 0.00 H new ATOM 0 HB THR A 66 108.007 1.734 10.422 1.00 0.00 H new ATOM 0 HG1 THR A 66 106.183 0.376 10.373 1.00 0.00 H new ATOM 0 HG21 THR A 66 108.142 -0.259 8.969 1.00 0.00 H new ATOM 0 HG22 THR A 66 109.732 0.156 9.651 1.00 0.00 H new ATOM 0 HG23 THR A 66 108.802 -1.203 10.325 1.00 0.00 H new ATOM 979 N ALA A 67 107.957 -0.933 13.570 1.00 0.00 N ATOM 980 CA ALA A 67 107.917 -2.254 14.191 1.00 0.00 C ATOM 981 C ALA A 67 106.480 -2.765 14.188 1.00 0.00 C ATOM 982 O ALA A 67 105.548 -1.958 14.154 1.00 0.00 O ATOM 983 CB ALA A 67 108.435 -2.178 15.628 1.00 0.00 C ATOM 0 H ALA A 67 107.139 -0.353 13.758 1.00 0.00 H new ATOM 0 HA ALA A 67 108.552 -2.937 13.626 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.400 -3.169 16.080 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.463 -1.816 15.625 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.811 -1.494 16.204 1.00 0.00 H new ATOM 989 N GLY A 68 106.295 -4.086 14.181 1.00 0.00 N ATOM 990 CA GLY A 68 104.941 -4.634 14.128 1.00 0.00 C ATOM 991 C GLY A 68 104.894 -6.135 14.417 1.00 0.00 C ATOM 992 O GLY A 68 105.938 -6.776 14.532 1.00 0.00 O ATOM 0 H GLY A 68 107.043 -4.779 14.210 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.314 -4.110 14.850 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.517 -4.446 13.142 1.00 0.00 H new ATOM 996 N PRO A 69 103.711 -6.701 14.572 1.00 0.00 N ATOM 997 CA PRO A 69 103.550 -8.169 14.733 1.00 0.00 C ATOM 998 C PRO A 69 103.211 -8.868 13.417 1.00 0.00 C ATOM 999 O PRO A 69 102.320 -8.437 12.678 1.00 0.00 O ATOM 1000 CB PRO A 69 102.384 -8.271 15.717 1.00 0.00 C ATOM 1001 CG PRO A 69 101.544 -7.057 15.476 1.00 0.00 C ATOM 1002 CD PRO A 69 102.391 -6.055 14.683 1.00 0.00 C ATOM 0 HA PRO A 69 104.465 -8.654 15.074 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.811 -9.183 15.551 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.742 -8.302 16.746 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.643 -7.319 14.922 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.221 -6.621 16.422 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.960 -5.859 13.701 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.459 -5.097 15.198 1.00 0.00 H new ATOM 1010 N ALA A 70 104.022 -9.870 13.080 1.00 0.00 N ATOM 1011 CA ALA A 70 103.748 -10.755 11.954 1.00 0.00 C ATOM 1012 C ALA A 70 102.739 -11.832 12.345 1.00 0.00 C ATOM 1013 O ALA A 70 102.787 -12.347 13.463 1.00 0.00 O ATOM 1014 CB ALA A 70 105.044 -11.416 11.484 1.00 0.00 C ATOM 0 H ALA A 70 104.884 -10.089 13.579 1.00 0.00 H new ATOM 0 HA ALA A 70 103.327 -10.159 11.144 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.832 -12.076 10.643 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.752 -10.648 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.473 -11.996 12.301 1.00 0.00 H new ATOM 1020 N TYR A 71 101.871 -12.204 11.403 1.00 0.00 N ATOM 1021 CA TYR A 71 100.916 -13.285 11.618 1.00 0.00 C ATOM 1022 C TYR A 71 101.276 -14.455 10.708 1.00 0.00 C ATOM 1023 O TYR A 71 101.830 -14.246 9.625 1.00 0.00 O ATOM 1024 CB TYR A 71 99.497 -12.807 11.317 1.00 0.00 C ATOM 1025 CG TYR A 71 99.035 -11.680 12.211 1.00 0.00 C ATOM 1026 CD1 TYR A 71 99.259 -10.348 11.837 1.00 0.00 C ATOM 1027 CD2 TYR A 71 98.381 -11.968 13.415 1.00 0.00 C ATOM 1028 CE1 TYR A 71 98.831 -9.306 12.667 1.00 0.00 C ATOM 1029 CE2 TYR A 71 97.952 -10.926 14.245 1.00 0.00 C ATOM 1030 CZ TYR A 71 98.176 -9.595 13.872 1.00 0.00 C ATOM 1031 OH TYR A 71 97.754 -8.569 14.692 1.00 0.00 O ATOM 0 H TYR A 71 101.812 -11.769 10.482 1.00 0.00 H new ATOM 0 HA TYR A 71 100.958 -13.603 12.660 1.00 0.00 H new ATOM 0 HB2 TYR A 71 99.446 -12.480 10.278 1.00 0.00 H new ATOM 0 HB3 TYR A 71 98.810 -13.647 11.421 1.00 0.00 H new ATOM 0 HD1 TYR A 71 99.762 -10.126 10.908 1.00 0.00 H new ATOM 0 HD2 TYR A 71 98.208 -12.994 13.703 1.00 0.00 H new ATOM 0 HE1 TYR A 71 99.005 -8.280 12.379 1.00 0.00 H new ATOM 0 HE2 TYR A 71 97.448 -11.149 15.174 1.00 0.00 H new ATOM 0 HH TYR A 71 97.318 -8.943 15.486 1.00 0.00 H new ATOM 1041 N ARG A 72 100.801 -15.645 11.062 1.00 0.00 N ATOM 1042 CA ARG A 72 101.396 -16.883 10.567 1.00 0.00 C ATOM 1043 C ARG A 72 100.672 -17.420 9.339 1.00 0.00 C ATOM 1044 O ARG A 72 99.442 -17.462 9.277 1.00 0.00 O ATOM 1045 CB ARG A 72 101.364 -17.942 11.668 1.00 0.00 C ATOM 1046 CG ARG A 72 102.235 -17.489 12.843 1.00 0.00 C ATOM 1047 CD ARG A 72 102.299 -18.597 13.897 1.00 0.00 C ATOM 1048 NE ARG A 72 100.947 -18.961 14.338 1.00 0.00 N ATOM 1049 CZ ARG A 72 100.154 -18.140 15.043 1.00 0.00 C ATOM 1050 NH1 ARG A 72 100.545 -16.949 15.429 1.00 0.00 N ATOM 1051 NH2 ARG A 72 98.955 -18.544 15.363 1.00 0.00 N ATOM 0 H ARG A 72 100.007 -15.779 11.689 1.00 0.00 H new ATOM 0 HA ARG A 72 102.423 -16.658 10.279 1.00 0.00 H new ATOM 0 HB2 ARG A 72 100.339 -18.102 12.003 1.00 0.00 H new ATOM 0 HB3 ARG A 72 101.725 -18.895 11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.239 -17.249 12.492 1.00 0.00 H new ATOM 0 HG3 ARG A 72 101.825 -16.580 13.282 1.00 0.00 H new ATOM 0 HD2 ARG A 72 102.802 -19.472 13.485 1.00 0.00 H new ATOM 0 HD3 ARG A 72 102.889 -18.263 14.750 1.00 0.00 H new ATOM 0 HE ARG A 72 100.592 -19.886 14.096 1.00 0.00 H new ATOM 0 HH11 ARG A 72 101.481 -16.619 15.194 1.00 0.00 H new ATOM 0 HH12 ARG A 72 99.913 -16.353 15.964 1.00 0.00 H new ATOM 0 HH21 ARG A 72 98.636 -19.470 15.077 1.00 0.00 H new ATOM 0 HH22 ARG A 72 98.337 -17.934 15.899 1.00 0.00 H new ATOM 1065 N ILE A 73 101.477 -17.829 8.363 1.00 0.00 N ATOM 1066 CA ILE A 73 100.988 -18.226 7.050 1.00 0.00 C ATOM 1067 C ILE A 73 100.298 -19.590 7.083 1.00 0.00 C ATOM 1068 O ILE A 73 100.830 -20.558 7.628 1.00 0.00 O ATOM 1069 CB ILE A 73 102.176 -18.262 6.076 1.00 0.00 C ATOM 1070 CG1 ILE A 73 101.684 -18.582 4.659 1.00 0.00 C ATOM 1071 CG2 ILE A 73 103.196 -19.318 6.513 1.00 0.00 C ATOM 1072 CD1 ILE A 73 102.795 -18.304 3.642 1.00 0.00 C ATOM 0 H ILE A 73 102.490 -17.894 8.462 1.00 0.00 H new ATOM 0 HA ILE A 73 100.245 -17.499 6.723 1.00 0.00 H new ATOM 0 HB ILE A 73 102.655 -17.283 6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 73 101.378 -19.626 4.599 1.00 0.00 H new ATOM 0 HG13 ILE A 73 100.807 -17.979 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 73 104.031 -19.330 5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 73 103.564 -19.078 7.511 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.721 -20.299 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 73 102.436 -18.534 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 73 103.080 -17.253 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.660 -18.926 3.869 1.00 0.00 H new ATOM 1084 N ASN A 74 99.106 -19.647 6.497 1.00 0.00 N ATOM 1085 CA ASN A 74 98.427 -20.919 6.281 1.00 0.00 C ATOM 1086 C ASN A 74 98.729 -21.436 4.876 1.00 0.00 C ATOM 1087 O ASN A 74 99.002 -22.621 4.682 1.00 0.00 O ATOM 1088 CB ASN A 74 96.918 -20.744 6.453 1.00 0.00 C ATOM 1089 CG ASN A 74 96.253 -22.102 6.645 1.00 0.00 C ATOM 1090 OD1 ASN A 74 96.557 -22.813 7.604 1.00 0.00 O ATOM 1091 ND2 ASN A 74 95.359 -22.509 5.786 1.00 0.00 N ATOM 0 H ASN A 74 98.593 -18.831 6.165 1.00 0.00 H new ATOM 0 HA ASN A 74 98.787 -21.640 7.015 1.00 0.00 H new ATOM 0 HB2 ASN A 74 96.714 -20.105 7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 74 96.500 -20.246 5.579 1.00 0.00 H new ATOM 0 HD21 ASN A 74 94.911 -23.417 5.908 1.00 0.00 H new ATOM 0 HD22 ASN A 74 95.108 -21.919 4.993 1.00 0.00 H new ATOM 1098 N ASP A 75 98.675 -20.533 3.898 1.00 0.00 N ATOM 1099 CA ASP A 75 98.969 -20.882 2.513 1.00 0.00 C ATOM 1100 C ASP A 75 98.979 -19.624 1.646 1.00 0.00 C ATOM 1101 O ASP A 75 97.928 -19.165 1.199 1.00 0.00 O ATOM 1102 CB ASP A 75 97.920 -21.862 1.986 1.00 0.00 C ATOM 1103 CG ASP A 75 98.314 -22.354 0.597 1.00 0.00 C ATOM 1104 OD1 ASP A 75 97.920 -21.719 -0.368 1.00 0.00 O ATOM 1105 OD2 ASP A 75 99.004 -23.355 0.517 1.00 0.00 O ATOM 0 H ASP A 75 98.430 -19.553 4.042 1.00 0.00 H new ATOM 0 HA ASP A 75 99.951 -21.352 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 75 97.827 -22.708 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 75 96.945 -21.376 1.945 1.00 0.00 H new ATOM 1110 N TRP A 76 100.166 -19.071 1.410 1.00 0.00 N ATOM 1111 CA TRP A 76 100.277 -17.821 0.652 1.00 0.00 C ATOM 1112 C TRP A 76 99.386 -16.719 1.244 1.00 0.00 C ATOM 1113 O TRP A 76 98.953 -15.815 0.529 1.00 0.00 O ATOM 1114 CB TRP A 76 99.865 -18.077 -0.799 1.00 0.00 C ATOM 1115 CG TRP A 76 100.476 -17.129 -1.784 1.00 0.00 C ATOM 1116 CD1 TRP A 76 99.981 -15.910 -2.101 1.00 0.00 C ATOM 1117 CD2 TRP A 76 101.674 -17.308 -2.596 1.00 0.00 C ATOM 1118 NE1 TRP A 76 100.802 -15.326 -3.047 1.00 0.00 N ATOM 1119 CE2 TRP A 76 101.858 -16.147 -3.386 1.00 0.00 C ATOM 1120 CE3 TRP A 76 102.609 -18.350 -2.720 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 102.935 -16.029 -4.269 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 103.691 -18.234 -3.607 1.00 0.00 C ATOM 1123 CH2 TRP A 76 103.854 -17.075 -4.379 1.00 0.00 C ATOM 0 H TRP A 76 101.055 -19.459 1.726 1.00 0.00 H new ATOM 0 HA TRP A 76 101.312 -17.483 0.703 1.00 0.00 H new ATOM 0 HB2 TRP A 76 100.143 -19.095 -1.070 1.00 0.00 H new ATOM 0 HB3 TRP A 76 98.780 -18.013 -0.874 1.00 0.00 H new ATOM 0 HD1 TRP A 76 99.090 -15.466 -1.683 1.00 0.00 H new ATOM 0 HE1 TRP A 76 100.646 -14.400 -3.446 1.00 0.00 H new ATOM 0 HE3 TRP A 76 102.494 -19.246 -2.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 103.056 -15.135 -4.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 104.402 -19.042 -3.695 1.00 0.00 H new ATOM 0 HH2 TRP A 76 104.690 -16.991 -5.058 1.00 0.00 H new ATOM 1134 N ALA A 77 99.110 -16.797 2.548 1.00 0.00 N ATOM 1135 CA ALA A 77 98.198 -15.866 3.207 1.00 0.00 C ATOM 1136 C ALA A 77 98.859 -15.115 4.366 1.00 0.00 C ATOM 1137 O ALA A 77 98.152 -14.631 5.251 1.00 0.00 O ATOM 1138 CB ALA A 77 96.980 -16.630 3.733 1.00 0.00 C ATOM 0 H ALA A 77 99.509 -17.501 3.169 1.00 0.00 H new ATOM 0 HA ALA A 77 97.900 -15.127 2.464 1.00 0.00 H new ATOM 0 HB1 ALA A 77 96.299 -15.935 4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 77 96.467 -17.113 2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 77 97.305 -17.386 4.447 1.00 0.00 H new ATOM 1144 N SER A 78 100.190 -15.008 4.376 1.00 0.00 N ATOM 1145 CA SER A 78 100.877 -14.443 5.532 1.00 0.00 C ATOM 1146 C SER A 78 100.547 -12.962 5.606 1.00 0.00 C ATOM 1147 O SER A 78 100.243 -12.367 4.574 1.00 0.00 O ATOM 1148 CB SER A 78 102.386 -14.623 5.384 1.00 0.00 C ATOM 1149 OG SER A 78 102.990 -14.606 6.670 1.00 0.00 O ATOM 0 H SER A 78 100.800 -15.299 3.612 1.00 0.00 H new ATOM 0 HA SER A 78 100.553 -14.951 6.441 1.00 0.00 H new ATOM 0 HB2 SER A 78 102.604 -15.565 4.880 1.00 0.00 H new ATOM 0 HB3 SER A 78 102.800 -13.827 4.765 1.00 0.00 H new ATOM 0 HG SER A 78 103.959 -14.723 6.578 1.00 0.00 H new ATOM 1155 N ILE A 79 100.573 -12.375 6.804 1.00 0.00 N ATOM 1156 CA ILE A 79 100.191 -10.972 6.925 1.00 0.00 C ATOM 1157 C ILE A 79 100.842 -10.325 8.137 1.00 0.00 C ATOM 1158 O ILE A 79 100.859 -10.894 9.223 1.00 0.00 O ATOM 1159 CB ILE A 79 98.663 -10.848 6.991 1.00 0.00 C ATOM 1160 CG1 ILE A 79 98.261 -9.370 7.008 1.00 0.00 C ATOM 1161 CG2 ILE A 79 98.125 -11.534 8.250 1.00 0.00 C ATOM 1162 CD1 ILE A 79 96.771 -9.243 6.688 1.00 0.00 C ATOM 0 H ILE A 79 100.845 -12.832 7.675 1.00 0.00 H new ATOM 0 HA ILE A 79 100.547 -10.441 6.042 1.00 0.00 H new ATOM 0 HB ILE A 79 98.238 -11.333 6.112 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.472 -8.936 7.985 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.849 -8.814 6.278 1.00 0.00 H new ATOM 0 HG21 ILE A 79 97.040 -11.437 8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 79 98.395 -12.590 8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 79 98.557 -11.064 9.133 1.00 0.00 H new ATOM 0 HD11 ILE A 79 96.485 -8.191 6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 79 96.574 -9.661 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 79 96.191 -9.786 7.435 1.00 0.00 H new ATOM 1174 N TYR A 80 101.395 -9.139 7.933 1.00 0.00 N ATOM 1175 CA TYR A 80 101.966 -8.376 9.035 1.00 0.00 C ATOM 1176 C TYR A 80 101.632 -6.899 8.888 1.00 0.00 C ATOM 1177 O TYR A 80 101.481 -6.399 7.774 1.00 0.00 O ATOM 1178 CB TYR A 80 103.483 -8.570 9.078 1.00 0.00 C ATOM 1179 CG TYR A 80 104.214 -7.999 7.885 1.00 0.00 C ATOM 1180 CD1 TYR A 80 104.432 -8.794 6.755 1.00 0.00 C ATOM 1181 CD2 TYR A 80 104.681 -6.680 7.914 1.00 0.00 C ATOM 1182 CE1 TYR A 80 105.122 -8.273 5.654 1.00 0.00 C ATOM 1183 CE2 TYR A 80 105.367 -6.156 6.811 1.00 0.00 C ATOM 1184 CZ TYR A 80 105.589 -6.953 5.682 1.00 0.00 C ATOM 1185 OH TYR A 80 106.274 -6.441 4.599 1.00 0.00 O ATOM 0 H TYR A 80 101.461 -8.686 7.022 1.00 0.00 H new ATOM 0 HA TYR A 80 101.536 -8.739 9.969 1.00 0.00 H new ATOM 0 HB2 TYR A 80 103.872 -8.106 9.984 1.00 0.00 H new ATOM 0 HB3 TYR A 80 103.700 -9.636 9.147 1.00 0.00 H new ATOM 0 HD1 TYR A 80 104.068 -9.810 6.732 1.00 0.00 H new ATOM 0 HD2 TYR A 80 104.512 -6.066 8.787 1.00 0.00 H new ATOM 0 HE1 TYR A 80 105.294 -8.889 4.784 1.00 0.00 H new ATOM 0 HE2 TYR A 80 105.725 -5.137 6.832 1.00 0.00 H new ATOM 0 HH TYR A 80 106.924 -7.102 4.281 1.00 0.00 H new ATOM 1195 N GLY A 81 101.522 -6.212 10.020 1.00 0.00 N ATOM 1196 CA GLY A 81 101.233 -4.778 10.014 1.00 0.00 C ATOM 1197 C GLY A 81 102.238 -4.036 10.884 1.00 0.00 C ATOM 1198 O GLY A 81 102.562 -4.488 11.978 1.00 0.00 O ATOM 0 H GLY A 81 101.627 -6.619 10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 81 101.272 -4.396 8.994 1.00 0.00 H new ATOM 0 HA3 GLY A 81 100.222 -4.602 10.382 1.00 0.00 H new ATOM 1202 N VAL A 82 102.714 -2.886 10.408 1.00 0.00 N ATOM 1203 CA VAL A 82 103.768 -2.163 11.118 1.00 0.00 C ATOM 1204 C VAL A 82 103.471 -0.669 11.176 1.00 0.00 C ATOM 1205 O VAL A 82 102.809 -0.124 10.293 1.00 0.00 O ATOM 1206 CB VAL A 82 105.113 -2.388 10.420 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.469 -3.876 10.447 1.00 0.00 C ATOM 1208 CG2 VAL A 82 105.024 -1.920 8.964 1.00 0.00 C ATOM 0 H VAL A 82 102.393 -2.441 9.548 1.00 0.00 H new ATOM 0 HA VAL A 82 103.811 -2.545 12.138 1.00 0.00 H new ATOM 0 HB VAL A 82 105.882 -1.819 10.942 1.00 0.00 H new ATOM 0 HG11 VAL A 82 106.426 -4.030 9.949 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.539 -4.215 11.481 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.696 -4.445 9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.982 -2.082 8.471 1.00 0.00 H new ATOM 0 HG22 VAL A 82 104.250 -2.486 8.447 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.777 -0.859 8.937 1.00 0.00 H new ATOM 1218 N VAL A 83 103.984 -0.019 12.217 1.00 0.00 N ATOM 1219 CA VAL A 83 103.885 1.430 12.342 1.00 0.00 C ATOM 1220 C VAL A 83 105.237 1.979 12.782 1.00 0.00 C ATOM 1221 O VAL A 83 105.923 1.347 13.584 1.00 0.00 O ATOM 1222 CB VAL A 83 102.807 1.807 13.362 1.00 0.00 C ATOM 1223 CG1 VAL A 83 101.445 1.312 12.870 1.00 0.00 C ATOM 1224 CG2 VAL A 83 103.122 1.157 14.712 1.00 0.00 C ATOM 0 H VAL A 83 104.473 -0.475 12.987 1.00 0.00 H new ATOM 0 HA VAL A 83 103.607 1.859 11.379 1.00 0.00 H new ATOM 0 HB VAL A 83 102.785 2.891 13.477 1.00 0.00 H new ATOM 0 HG11 VAL A 83 100.677 1.580 13.595 1.00 0.00 H new ATOM 0 HG12 VAL A 83 101.215 1.774 11.910 1.00 0.00 H new ATOM 0 HG13 VAL A 83 101.472 0.229 12.753 1.00 0.00 H new ATOM 0 HG21 VAL A 83 102.352 1.428 15.435 1.00 0.00 H new ATOM 0 HG22 VAL A 83 103.147 0.073 14.597 1.00 0.00 H new ATOM 0 HG23 VAL A 83 104.092 1.506 15.067 1.00 0.00 H new ATOM 1234 N GLY A 84 105.632 3.128 12.240 1.00 0.00 N ATOM 1235 CA GLY A 84 106.944 3.680 12.546 1.00 0.00 C ATOM 1236 C GLY A 84 106.909 5.198 12.544 1.00 0.00 C ATOM 1237 O GLY A 84 105.905 5.807 12.178 1.00 0.00 O ATOM 0 H GLY A 84 105.071 3.686 11.597 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.275 3.322 13.521 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.670 3.328 11.813 1.00 0.00 H new ATOM 1241 N VAL A 85 108.031 5.803 12.910 1.00 0.00 N ATOM 1242 CA VAL A 85 108.145 7.255 12.903 1.00 0.00 C ATOM 1243 C VAL A 85 109.216 7.654 11.897 1.00 0.00 C ATOM 1244 O VAL A 85 110.314 7.099 11.907 1.00 0.00 O ATOM 1245 CB VAL A 85 108.504 7.755 14.310 1.00 0.00 C ATOM 1246 CG1 VAL A 85 109.840 7.157 14.760 1.00 0.00 C ATOM 1247 CG2 VAL A 85 108.603 9.283 14.310 1.00 0.00 C ATOM 0 H VAL A 85 108.872 5.313 13.214 1.00 0.00 H new ATOM 0 HA VAL A 85 107.196 7.707 12.615 1.00 0.00 H new ATOM 0 HB VAL A 85 107.722 7.442 15.002 1.00 0.00 H new ATOM 0 HG11 VAL A 85 110.083 7.519 15.759 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.765 6.070 14.777 1.00 0.00 H new ATOM 0 HG13 VAL A 85 110.625 7.456 14.065 1.00 0.00 H new ATOM 0 HG21 VAL A 85 108.858 9.631 15.311 1.00 0.00 H new ATOM 0 HG22 VAL A 85 109.376 9.598 13.609 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.646 9.710 14.010 1.00 0.00 H new ATOM 1257 N GLY A 86 108.876 8.583 11.008 1.00 0.00 N ATOM 1258 CA GLY A 86 109.829 9.047 10.001 1.00 0.00 C ATOM 1259 C GLY A 86 110.106 10.533 10.184 1.00 0.00 C ATOM 1260 O GLY A 86 109.210 11.288 10.549 1.00 0.00 O ATOM 0 H GLY A 86 107.958 9.026 10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.759 8.484 10.083 1.00 0.00 H new ATOM 0 HA3 GLY A 86 109.432 8.864 9.002 1.00 0.00 H new ATOM 1264 N TYR A 87 111.347 10.948 9.940 1.00 0.00 N ATOM 1265 CA TYR A 87 111.706 12.357 10.073 1.00 0.00 C ATOM 1266 C TYR A 87 112.541 12.815 8.883 1.00 0.00 C ATOM 1267 O TYR A 87 113.307 12.038 8.315 1.00 0.00 O ATOM 1268 CB TYR A 87 112.470 12.581 11.382 1.00 0.00 C ATOM 1269 CG TYR A 87 113.851 11.964 11.411 1.00 0.00 C ATOM 1270 CD1 TYR A 87 114.957 12.704 10.976 1.00 0.00 C ATOM 1271 CD2 TYR A 87 114.026 10.655 11.874 1.00 0.00 C ATOM 1272 CE1 TYR A 87 116.236 12.136 11.004 1.00 0.00 C ATOM 1273 CE2 TYR A 87 115.303 10.086 11.903 1.00 0.00 C ATOM 1274 CZ TYR A 87 116.410 10.826 11.468 1.00 0.00 C ATOM 1275 OH TYR A 87 117.670 10.265 11.497 1.00 0.00 O ATOM 0 H TYR A 87 112.112 10.337 9.653 1.00 0.00 H new ATOM 0 HA TYR A 87 110.791 12.949 10.093 1.00 0.00 H new ATOM 0 HB2 TYR A 87 112.560 13.653 11.557 1.00 0.00 H new ATOM 0 HB3 TYR A 87 111.885 12.171 12.205 1.00 0.00 H new ATOM 0 HD1 TYR A 87 114.823 13.714 10.618 1.00 0.00 H new ATOM 0 HD2 TYR A 87 113.173 10.083 12.209 1.00 0.00 H new ATOM 0 HE1 TYR A 87 117.088 12.708 10.668 1.00 0.00 H new ATOM 0 HE2 TYR A 87 115.436 9.076 12.261 1.00 0.00 H new ATOM 0 HH TYR A 87 117.613 9.352 11.847 1.00 0.00 H new ATOM 1285 N GLY A 88 112.367 14.077 8.512 1.00 0.00 N ATOM 1286 CA GLY A 88 113.147 14.670 7.431 1.00 0.00 C ATOM 1287 C GLY A 88 114.232 15.585 7.987 1.00 0.00 C ATOM 1288 O GLY A 88 114.069 16.175 9.056 1.00 0.00 O ATOM 0 H GLY A 88 111.693 14.710 8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.602 13.883 6.830 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.490 15.236 6.771 1.00 0.00 H new ATOM 1292 N LYS A 89 115.343 15.687 7.267 1.00 0.00 N ATOM 1293 CA LYS A 89 116.445 16.545 7.691 1.00 0.00 C ATOM 1294 C LYS A 89 116.977 17.352 6.511 1.00 0.00 C ATOM 1295 O LYS A 89 117.081 16.838 5.396 1.00 0.00 O ATOM 1296 CB LYS A 89 117.570 15.690 8.278 1.00 0.00 C ATOM 1297 CG LYS A 89 118.663 16.598 8.851 1.00 0.00 C ATOM 1298 CD LYS A 89 119.733 15.749 9.541 1.00 0.00 C ATOM 1299 CE LYS A 89 120.511 14.938 8.500 1.00 0.00 C ATOM 1300 NZ LYS A 89 121.096 15.855 7.482 1.00 0.00 N ATOM 0 H LYS A 89 115.505 15.190 6.391 1.00 0.00 H new ATOM 0 HA LYS A 89 116.078 17.235 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 89 117.176 15.041 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 89 117.988 15.043 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 89 119.113 17.189 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 89 118.229 17.301 9.562 1.00 0.00 H new ATOM 0 HD2 LYS A 89 120.415 16.391 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 89 119.267 15.078 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 89 121.302 14.368 8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 89 119.850 14.218 8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 121.940 15.415 7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 120.395 16.039 6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 121.363 16.752 7.935 1.00 0.00 H new ATOM 1314 N PHE A 90 117.284 18.621 6.767 1.00 0.00 N ATOM 1315 CA PHE A 90 117.878 19.488 5.754 1.00 0.00 C ATOM 1316 C PHE A 90 119.318 19.819 6.135 1.00 0.00 C ATOM 1317 O PHE A 90 119.621 20.033 7.308 1.00 0.00 O ATOM 1318 CB PHE A 90 117.079 20.786 5.635 1.00 0.00 C ATOM 1319 CG PHE A 90 115.669 20.589 5.131 1.00 0.00 C ATOM 1320 CD1 PHE A 90 114.625 20.361 6.036 1.00 0.00 C ATOM 1321 CD2 PHE A 90 115.404 20.640 3.757 1.00 0.00 C ATOM 1322 CE1 PHE A 90 113.317 20.185 5.566 1.00 0.00 C ATOM 1323 CE2 PHE A 90 114.098 20.463 3.289 1.00 0.00 C ATOM 1324 CZ PHE A 90 113.054 20.235 4.193 1.00 0.00 C ATOM 0 H PHE A 90 117.131 19.072 7.669 1.00 0.00 H new ATOM 0 HA PHE A 90 117.862 18.966 4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 90 117.042 21.270 6.611 1.00 0.00 H new ATOM 0 HB3 PHE A 90 117.604 21.465 4.963 1.00 0.00 H new ATOM 0 HD1 PHE A 90 114.828 20.321 7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 90 116.209 20.816 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.511 20.011 6.264 1.00 0.00 H new ATOM 0 HE2 PHE A 90 113.895 20.502 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 90 112.046 20.098 3.831 1.00 0.00 H new ATOM 1334 N GLN A 91 120.202 19.862 5.142 1.00 0.00 N ATOM 1335 CA GLN A 91 121.608 20.171 5.396 1.00 0.00 C ATOM 1336 C GLN A 91 122.127 21.219 4.415 1.00 0.00 C ATOM 1337 O GLN A 91 121.856 21.154 3.216 1.00 0.00 O ATOM 1338 CB GLN A 91 122.445 18.888 5.297 1.00 0.00 C ATOM 1339 CG GLN A 91 122.362 18.306 3.882 1.00 0.00 C ATOM 1340 CD GLN A 91 123.172 17.016 3.802 1.00 0.00 C ATOM 1341 OE1 GLN A 91 122.689 15.954 4.192 1.00 0.00 O ATOM 1342 NE2 GLN A 91 124.383 17.047 3.314 1.00 0.00 N ATOM 0 H GLN A 91 119.974 19.689 4.163 1.00 0.00 H new ATOM 0 HA GLN A 91 121.695 20.583 6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 91 123.484 19.103 5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 91 122.087 18.155 6.020 1.00 0.00 H new ATOM 0 HG2 GLN A 91 121.322 18.109 3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 91 122.741 19.029 3.159 1.00 0.00 H new ATOM 0 HE21 GLN A 91 124.780 17.929 2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 91 124.931 16.189 3.255 1.00 0.00 H new ATOM 1351 N THR A 92 122.874 22.185 4.941 1.00 0.00 N ATOM 1352 CA THR A 92 123.470 23.230 4.113 1.00 0.00 C ATOM 1353 C THR A 92 124.978 23.026 4.009 1.00 0.00 C ATOM 1354 O THR A 92 125.581 22.354 4.845 1.00 0.00 O ATOM 1355 CB THR A 92 123.174 24.605 4.718 1.00 0.00 C ATOM 1356 OG1 THR A 92 123.787 25.610 3.924 1.00 0.00 O ATOM 1357 CG2 THR A 92 123.719 24.675 6.147 1.00 0.00 C ATOM 0 H THR A 92 123.081 22.266 5.936 1.00 0.00 H new ATOM 0 HA THR A 92 123.037 23.176 3.114 1.00 0.00 H new ATOM 0 HB THR A 92 122.096 24.764 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 92 124.136 26.318 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 92 123.505 25.656 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 92 123.244 23.905 6.756 1.00 0.00 H new ATOM 0 HG23 THR A 92 124.797 24.513 6.134 1.00 0.00 H new ATOM 1365 N THR A 93 125.586 23.610 2.979 1.00 0.00 N ATOM 1366 CA THR A 93 127.030 23.503 2.787 1.00 0.00 C ATOM 1367 C THR A 93 127.676 24.884 2.840 1.00 0.00 C ATOM 1368 O THR A 93 127.259 25.803 2.135 1.00 0.00 O ATOM 1369 CB THR A 93 127.328 22.851 1.435 1.00 0.00 C ATOM 1370 OG1 THR A 93 126.634 21.615 1.345 1.00 0.00 O ATOM 1371 CG2 THR A 93 128.831 22.606 1.301 1.00 0.00 C ATOM 0 H THR A 93 125.104 24.160 2.268 1.00 0.00 H new ATOM 0 HA THR A 93 127.443 22.887 3.586 1.00 0.00 H new ATOM 0 HB THR A 93 127.000 23.513 0.633 1.00 0.00 H new ATOM 0 HG1 THR A 93 126.822 21.197 0.479 1.00 0.00 H new ATOM 0 HG21 THR A 93 129.039 22.142 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 93 129.362 23.556 1.369 1.00 0.00 H new ATOM 0 HG23 THR A 93 129.165 21.946 2.102 1.00 0.00 H new ATOM 1379 N GLU A 94 128.698 25.020 3.682 1.00 0.00 N ATOM 1380 CA GLU A 94 129.424 26.284 3.827 1.00 0.00 C ATOM 1381 C GLU A 94 128.492 27.497 3.941 1.00 0.00 C ATOM 1382 O GLU A 94 128.900 28.620 3.645 1.00 0.00 O ATOM 1383 CB GLU A 94 130.355 26.478 2.630 1.00 0.00 C ATOM 1384 CG GLU A 94 131.397 25.353 2.605 1.00 0.00 C ATOM 1385 CD GLU A 94 132.413 25.542 1.473 1.00 0.00 C ATOM 1386 OE1 GLU A 94 132.206 26.395 0.621 1.00 0.00 O ATOM 1387 OE2 GLU A 94 133.396 24.820 1.475 1.00 0.00 O ATOM 0 H GLU A 94 129.045 24.268 4.278 1.00 0.00 H new ATOM 0 HA GLU A 94 129.992 26.221 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 94 129.780 26.476 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 94 130.851 27.446 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 94 131.920 25.321 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 94 130.893 24.394 2.485 1.00 0.00 H new ATOM 1394 N TYR A 95 127.250 27.278 4.368 1.00 0.00 N ATOM 1395 CA TYR A 95 126.294 28.372 4.505 1.00 0.00 C ATOM 1396 C TYR A 95 125.459 28.211 5.782 1.00 0.00 C ATOM 1397 O TYR A 95 124.307 27.772 5.718 1.00 0.00 O ATOM 1398 CB TYR A 95 125.383 28.423 3.275 1.00 0.00 C ATOM 1399 CG TYR A 95 124.845 29.805 2.984 1.00 0.00 C ATOM 1400 CD1 TYR A 95 125.669 30.764 2.384 1.00 0.00 C ATOM 1401 CD2 TYR A 95 123.522 30.125 3.313 1.00 0.00 C ATOM 1402 CE1 TYR A 95 125.171 32.044 2.116 1.00 0.00 C ATOM 1403 CE2 TYR A 95 123.024 31.405 3.045 1.00 0.00 C ATOM 1404 CZ TYR A 95 123.848 32.365 2.444 1.00 0.00 C ATOM 1405 OH TYR A 95 123.357 33.626 2.178 1.00 0.00 O ATOM 0 H TYR A 95 126.885 26.360 4.623 1.00 0.00 H new ATOM 0 HA TYR A 95 126.846 29.309 4.579 1.00 0.00 H new ATOM 0 HB2 TYR A 95 125.937 28.066 2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 95 124.547 27.739 3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 95 126.689 30.516 2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 95 122.886 29.384 3.774 1.00 0.00 H new ATOM 0 HE1 TYR A 95 125.808 32.785 1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 95 122.005 31.653 3.302 1.00 0.00 H new ATOM 0 HH TYR A 95 122.422 33.681 2.467 1.00 0.00 H new ATOM 1415 N PRO A 96 126.002 28.537 6.936 1.00 0.00 N ATOM 1416 CA PRO A 96 125.241 28.444 8.215 1.00 0.00 C ATOM 1417 C PRO A 96 124.464 29.723 8.514 1.00 0.00 C ATOM 1418 O PRO A 96 125.018 30.685 9.048 1.00 0.00 O ATOM 1419 CB PRO A 96 126.336 28.215 9.254 1.00 0.00 C ATOM 1420 CG PRO A 96 127.539 28.920 8.719 1.00 0.00 C ATOM 1421 CD PRO A 96 127.379 29.008 7.197 1.00 0.00 C ATOM 0 HA PRO A 96 124.487 27.657 8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 96 126.046 28.614 10.226 1.00 0.00 H new ATOM 0 HB3 PRO A 96 126.532 27.152 9.392 1.00 0.00 H new ATOM 0 HG2 PRO A 96 127.626 29.916 9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 96 128.449 28.378 8.979 1.00 0.00 H new ATOM 0 HD2 PRO A 96 127.522 30.029 6.842 1.00 0.00 H new ATOM 0 HD3 PRO A 96 128.114 28.387 6.685 1.00 0.00 H new ATOM 1429 N THR A 97 123.180 29.732 8.167 1.00 0.00 N ATOM 1430 CA THR A 97 122.346 30.911 8.378 1.00 0.00 C ATOM 1431 C THR A 97 120.967 30.527 8.913 1.00 0.00 C ATOM 1432 O THR A 97 120.514 29.397 8.733 1.00 0.00 O ATOM 1433 CB THR A 97 122.207 31.690 7.064 1.00 0.00 C ATOM 1434 OG1 THR A 97 121.463 32.877 7.297 1.00 0.00 O ATOM 1435 CG2 THR A 97 121.505 30.833 6.008 1.00 0.00 C ATOM 0 H THR A 97 122.697 28.941 7.741 1.00 0.00 H new ATOM 0 HA THR A 97 122.829 31.542 9.124 1.00 0.00 H new ATOM 0 HB THR A 97 123.200 31.948 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 97 120.639 32.856 6.766 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.414 31.400 5.081 1.00 0.00 H new ATOM 0 HG22 THR A 97 122.088 29.930 5.825 1.00 0.00 H new ATOM 0 HG23 THR A 97 120.512 30.558 6.364 1.00 0.00 H new ATOM 1443 N TYR A 98 120.308 31.490 9.553 1.00 0.00 N ATOM 1444 CA TYR A 98 118.974 31.284 10.111 1.00 0.00 C ATOM 1445 C TYR A 98 118.918 30.030 10.999 1.00 0.00 C ATOM 1446 O TYR A 98 119.194 30.121 12.196 1.00 0.00 O ATOM 1447 CB TYR A 98 117.940 31.238 8.977 1.00 0.00 C ATOM 1448 CG TYR A 98 117.843 32.528 8.199 1.00 0.00 C ATOM 1449 CD1 TYR A 98 117.080 33.590 8.697 1.00 0.00 C ATOM 1450 CD2 TYR A 98 118.518 32.664 6.979 1.00 0.00 C ATOM 1451 CE1 TYR A 98 116.990 34.787 7.977 1.00 0.00 C ATOM 1452 CE2 TYR A 98 118.428 33.861 6.259 1.00 0.00 C ATOM 1453 CZ TYR A 98 117.664 34.922 6.758 1.00 0.00 C ATOM 1454 OH TYR A 98 117.577 36.103 6.048 1.00 0.00 O ATOM 0 H TYR A 98 120.680 32.428 9.699 1.00 0.00 H new ATOM 0 HA TYR A 98 118.731 32.126 10.760 1.00 0.00 H new ATOM 0 HB2 TYR A 98 118.198 30.429 8.293 1.00 0.00 H new ATOM 0 HB3 TYR A 98 116.962 31.001 9.397 1.00 0.00 H new ATOM 0 HD1 TYR A 98 116.560 33.486 9.638 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.108 31.845 6.594 1.00 0.00 H new ATOM 0 HE1 TYR A 98 116.401 35.606 8.362 1.00 0.00 H new ATOM 0 HE2 TYR A 98 118.948 33.966 5.318 1.00 0.00 H new ATOM 0 HH TYR A 98 118.105 36.030 5.225 1.00 0.00 H new ATOM 1464 N LYS A 99 118.572 28.867 10.442 1.00 0.00 N ATOM 1465 CA LYS A 99 118.455 27.645 11.235 1.00 0.00 C ATOM 1466 C LYS A 99 119.554 26.653 10.870 1.00 0.00 C ATOM 1467 O LYS A 99 119.828 26.419 9.693 1.00 0.00 O ATOM 1468 CB LYS A 99 117.090 26.999 10.992 1.00 0.00 C ATOM 1469 CG LYS A 99 115.986 27.925 11.505 1.00 0.00 C ATOM 1470 CD LYS A 99 114.617 27.360 11.119 1.00 0.00 C ATOM 1471 CE LYS A 99 114.341 26.081 11.914 1.00 0.00 C ATOM 1472 NZ LYS A 99 114.416 26.376 13.373 1.00 0.00 N ATOM 0 H LYS A 99 118.369 28.748 9.450 1.00 0.00 H new ATOM 0 HA LYS A 99 118.557 27.910 12.287 1.00 0.00 H new ATOM 0 HB2 LYS A 99 116.952 26.806 9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 99 117.036 26.036 11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 99 116.056 28.025 12.588 1.00 0.00 H new ATOM 0 HG3 LYS A 99 116.110 28.923 11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 99 113.840 28.098 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 99 114.589 27.148 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 99 113.356 25.689 11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 99 115.067 25.312 11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 113.857 25.674 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 115.407 26.333 13.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 114.036 27.327 13.555 1.00 0.00 H new ATOM 1486 N HIS A 100 120.180 26.074 11.890 1.00 0.00 N ATOM 1487 CA HIS A 100 121.219 25.076 11.665 1.00 0.00 C ATOM 1488 C HIS A 100 120.647 23.865 10.936 1.00 0.00 C ATOM 1489 O HIS A 100 121.253 23.348 9.998 1.00 0.00 O ATOM 1490 CB HIS A 100 121.813 24.633 13.003 1.00 0.00 C ATOM 1491 CG HIS A 100 122.969 23.679 12.862 1.00 0.00 C ATOM 1492 ND1 HIS A 100 124.179 24.061 12.306 1.00 0.00 N ATOM 1493 CD2 HIS A 100 123.112 22.355 13.200 1.00 0.00 C ATOM 1494 CE1 HIS A 100 124.991 22.990 12.324 1.00 0.00 C ATOM 1495 NE2 HIS A 100 124.392 21.923 12.858 1.00 0.00 N ATOM 0 H HIS A 100 119.988 26.276 12.871 1.00 0.00 H new ATOM 0 HA HIS A 100 122.000 25.522 11.049 1.00 0.00 H new ATOM 0 HB2 HIS A 100 122.144 25.514 13.553 1.00 0.00 H new ATOM 0 HB3 HIS A 100 121.033 24.160 13.599 1.00 0.00 H new ATOM 0 HD2 HIS A 100 122.350 21.743 13.660 1.00 0.00 H new ATOM 0 HE1 HIS A 100 126.005 22.992 11.952 1.00 0.00 H new ATOM 0 HE2 HIS A 100 124.787 20.991 12.988 1.00 0.00 H new ATOM 1503 N ASP A 101 119.473 23.420 11.374 1.00 0.00 N ATOM 1504 CA ASP A 101 118.823 22.266 10.760 1.00 0.00 C ATOM 1505 C ASP A 101 117.309 22.351 10.926 1.00 0.00 C ATOM 1506 O ASP A 101 116.813 22.934 11.892 1.00 0.00 O ATOM 1507 CB ASP A 101 119.338 20.976 11.400 1.00 0.00 C ATOM 1508 CG ASP A 101 118.799 19.766 10.647 1.00 0.00 C ATOM 1509 OD1 ASP A 101 117.737 19.291 11.010 1.00 0.00 O ATOM 1510 OD2 ASP A 101 119.457 19.332 9.716 1.00 0.00 O ATOM 0 H ASP A 101 118.955 23.838 12.147 1.00 0.00 H new ATOM 0 HA ASP A 101 119.059 22.263 9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 101 120.428 20.965 11.389 1.00 0.00 H new ATOM 0 HB3 ASP A 101 119.030 20.931 12.445 1.00 0.00 H new ATOM 1515 N THR A 102 116.579 21.766 9.981 1.00 0.00 N ATOM 1516 CA THR A 102 115.119 21.749 10.045 1.00 0.00 C ATOM 1517 C THR A 102 114.609 20.318 9.911 1.00 0.00 C ATOM 1518 O THR A 102 115.109 19.552 9.086 1.00 0.00 O ATOM 1519 CB THR A 102 114.539 22.607 8.918 1.00 0.00 C ATOM 1520 OG1 THR A 102 115.100 23.910 8.981 1.00 0.00 O ATOM 1521 CG2 THR A 102 113.019 22.695 9.069 1.00 0.00 C ATOM 0 H THR A 102 116.972 21.299 9.164 1.00 0.00 H new ATOM 0 HA THR A 102 114.803 22.154 11.006 1.00 0.00 H new ATOM 0 HB THR A 102 114.779 22.154 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 102 114.731 24.460 8.259 1.00 0.00 H new ATOM 0 HG21 THR A 102 112.608 23.306 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 102 112.590 21.694 9.019 1.00 0.00 H new ATOM 0 HG23 THR A 102 112.774 23.147 10.030 1.00 0.00 H new ATOM 1529 N SER A 103 113.623 19.958 10.727 1.00 0.00 N ATOM 1530 CA SER A 103 113.080 18.604 10.688 1.00 0.00 C ATOM 1531 C SER A 103 111.595 18.578 11.035 1.00 0.00 C ATOM 1532 O SER A 103 111.082 19.470 11.708 1.00 0.00 O ATOM 1533 CB SER A 103 113.847 17.709 11.662 1.00 0.00 C ATOM 1534 OG SER A 103 113.551 18.109 12.993 1.00 0.00 O ATOM 0 H SER A 103 113.189 20.574 11.414 1.00 0.00 H new ATOM 0 HA SER A 103 113.194 18.232 9.670 1.00 0.00 H new ATOM 0 HB2 SER A 103 113.569 16.666 11.512 1.00 0.00 H new ATOM 0 HB3 SER A 103 114.919 17.783 11.477 1.00 0.00 H new ATOM 0 HG SER A 103 114.039 17.538 13.622 1.00 0.00 H new ATOM 1540 N ASP A 104 110.919 17.535 10.562 1.00 0.00 N ATOM 1541 CA ASP A 104 109.514 17.317 10.879 1.00 0.00 C ATOM 1542 C ASP A 104 109.245 15.819 10.970 1.00 0.00 C ATOM 1543 O ASP A 104 109.844 15.039 10.230 1.00 0.00 O ATOM 1544 CB ASP A 104 108.626 17.936 9.797 1.00 0.00 C ATOM 1545 CG ASP A 104 107.162 17.855 10.216 1.00 0.00 C ATOM 1546 OD1 ASP A 104 106.728 18.727 10.952 1.00 0.00 O ATOM 1547 OD2 ASP A 104 106.496 16.924 9.796 1.00 0.00 O ATOM 0 H ASP A 104 111.326 16.824 9.954 1.00 0.00 H new ATOM 0 HA ASP A 104 109.285 17.790 11.834 1.00 0.00 H new ATOM 0 HB2 ASP A 104 108.909 18.976 9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 104 108.772 17.413 8.852 1.00 0.00 H new ATOM 1552 N TYR A 105 108.365 15.422 11.887 1.00 0.00 N ATOM 1553 CA TYR A 105 108.075 14.005 12.103 1.00 0.00 C ATOM 1554 C TYR A 105 106.696 13.636 11.563 1.00 0.00 C ATOM 1555 O TYR A 105 105.773 14.450 11.589 1.00 0.00 O ATOM 1556 CB TYR A 105 108.129 13.691 13.600 1.00 0.00 C ATOM 1557 CG TYR A 105 109.440 14.068 14.247 1.00 0.00 C ATOM 1558 CD1 TYR A 105 110.528 13.189 14.189 1.00 0.00 C ATOM 1559 CD2 TYR A 105 109.568 15.296 14.906 1.00 0.00 C ATOM 1560 CE1 TYR A 105 111.745 13.538 14.788 1.00 0.00 C ATOM 1561 CE2 TYR A 105 110.783 15.646 15.505 1.00 0.00 C ATOM 1562 CZ TYR A 105 111.873 14.767 15.447 1.00 0.00 C ATOM 1563 OH TYR A 105 113.070 15.112 16.038 1.00 0.00 O ATOM 0 H TYR A 105 107.842 16.057 12.490 1.00 0.00 H new ATOM 0 HA TYR A 105 108.825 13.421 11.570 1.00 0.00 H new ATOM 0 HB2 TYR A 105 107.319 14.219 14.103 1.00 0.00 H new ATOM 0 HB3 TYR A 105 107.954 12.625 13.746 1.00 0.00 H new ATOM 0 HD1 TYR A 105 110.429 12.241 13.682 1.00 0.00 H new ATOM 0 HD2 TYR A 105 108.728 15.974 14.952 1.00 0.00 H new ATOM 0 HE1 TYR A 105 112.584 12.860 14.742 1.00 0.00 H new ATOM 0 HE2 TYR A 105 110.881 16.594 16.012 1.00 0.00 H new ATOM 0 HH TYR A 105 112.988 15.997 16.450 1.00 0.00 H new ATOM 1573 N GLY A 106 106.563 12.405 11.075 1.00 0.00 N ATOM 1574 CA GLY A 106 105.280 11.922 10.582 1.00 0.00 C ATOM 1575 C GLY A 106 105.093 10.458 10.955 1.00 0.00 C ATOM 1576 O GLY A 106 106.061 9.771 11.276 1.00 0.00 O ATOM 0 H GLY A 106 107.324 11.729 11.011 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.472 12.519 11.004 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.231 12.039 9.499 1.00 0.00 H new ATOM 1580 N PHE A 107 103.856 9.974 10.893 1.00 0.00 N ATOM 1581 CA PHE A 107 103.575 8.586 11.239 1.00 0.00 C ATOM 1582 C PHE A 107 103.342 7.766 9.976 1.00 0.00 C ATOM 1583 O PHE A 107 102.516 8.128 9.138 1.00 0.00 O ATOM 1584 CB PHE A 107 102.333 8.513 12.130 1.00 0.00 C ATOM 1585 CG PHE A 107 102.496 9.228 13.449 1.00 0.00 C ATOM 1586 CD1 PHE A 107 103.091 8.572 14.533 1.00 0.00 C ATOM 1587 CD2 PHE A 107 102.052 10.551 13.588 1.00 0.00 C ATOM 1588 CE1 PHE A 107 103.242 9.237 15.756 1.00 0.00 C ATOM 1589 CE2 PHE A 107 102.204 11.213 14.812 1.00 0.00 C ATOM 1590 CZ PHE A 107 102.799 10.557 15.895 1.00 0.00 C ATOM 0 H PHE A 107 103.040 10.517 10.609 1.00 0.00 H new ATOM 0 HA PHE A 107 104.432 8.179 11.776 1.00 0.00 H new ATOM 0 HB2 PHE A 107 101.486 8.943 11.595 1.00 0.00 H new ATOM 0 HB3 PHE A 107 102.093 7.467 12.320 1.00 0.00 H new ATOM 0 HD1 PHE A 107 103.433 7.553 14.426 1.00 0.00 H new ATOM 0 HD2 PHE A 107 101.594 11.058 12.752 1.00 0.00 H new ATOM 0 HE1 PHE A 107 103.701 8.731 16.593 1.00 0.00 H new ATOM 0 HE2 PHE A 107 101.861 12.231 14.920 1.00 0.00 H new ATOM 0 HZ PHE A 107 102.916 11.069 16.838 1.00 0.00 H new ATOM 1600 N SER A 108 104.071 6.660 9.838 1.00 0.00 N ATOM 1601 CA SER A 108 103.907 5.793 8.672 1.00 0.00 C ATOM 1602 C SER A 108 103.381 4.429 9.099 1.00 0.00 C ATOM 1603 O SER A 108 103.820 3.884 10.108 1.00 0.00 O ATOM 1604 CB SER A 108 105.251 5.620 7.963 1.00 0.00 C ATOM 1605 OG SER A 108 105.056 4.873 6.769 1.00 0.00 O ATOM 0 H SER A 108 104.772 6.346 10.509 1.00 0.00 H new ATOM 0 HA SER A 108 103.191 6.254 7.991 1.00 0.00 H new ATOM 0 HB2 SER A 108 105.681 6.594 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 108 105.957 5.107 8.616 1.00 0.00 H new ATOM 0 HG SER A 108 105.914 4.761 6.310 1.00 0.00 H new ATOM 1611 N TYR A 109 102.437 3.885 8.336 1.00 0.00 N ATOM 1612 CA TYR A 109 101.904 2.557 8.638 1.00 0.00 C ATOM 1613 C TYR A 109 101.662 1.783 7.349 1.00 0.00 C ATOM 1614 O TYR A 109 101.366 2.385 6.319 1.00 0.00 O ATOM 1615 CB TYR A 109 100.602 2.684 9.440 1.00 0.00 C ATOM 1616 CG TYR A 109 99.446 3.267 8.658 1.00 0.00 C ATOM 1617 CD1 TYR A 109 99.234 4.650 8.647 1.00 0.00 C ATOM 1618 CD2 TYR A 109 98.586 2.420 7.948 1.00 0.00 C ATOM 1619 CE1 TYR A 109 98.162 5.187 7.924 1.00 0.00 C ATOM 1620 CE2 TYR A 109 97.514 2.958 7.225 1.00 0.00 C ATOM 1621 CZ TYR A 109 97.302 4.342 7.214 1.00 0.00 C ATOM 1622 OH TYR A 109 96.246 4.872 6.502 1.00 0.00 O ATOM 0 H TYR A 109 102.029 4.334 7.516 1.00 0.00 H new ATOM 0 HA TYR A 109 102.632 2.011 9.238 1.00 0.00 H new ATOM 0 HB2 TYR A 109 100.317 1.698 9.807 1.00 0.00 H new ATOM 0 HB3 TYR A 109 100.786 3.309 10.314 1.00 0.00 H new ATOM 0 HD1 TYR A 109 99.897 5.303 9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 109 98.749 1.352 7.958 1.00 0.00 H new ATOM 0 HE1 TYR A 109 97.999 6.255 7.914 1.00 0.00 H new ATOM 0 HE2 TYR A 109 96.851 2.306 6.676 1.00 0.00 H new ATOM 0 HH TYR A 109 95.749 4.148 6.066 1.00 0.00 H new ATOM 1632 N GLY A 110 101.791 0.458 7.404 1.00 0.00 N ATOM 1633 CA GLY A 110 101.597 -0.351 6.204 1.00 0.00 C ATOM 1634 C GLY A 110 101.282 -1.804 6.540 1.00 0.00 C ATOM 1635 O GLY A 110 101.340 -2.214 7.697 1.00 0.00 O ATOM 0 H GLY A 110 102.024 -0.068 8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 110 100.784 0.069 5.611 1.00 0.00 H new ATOM 0 HA3 GLY A 110 102.495 -0.308 5.588 1.00 0.00 H new ATOM 1639 N ALA A 111 100.980 -2.572 5.500 1.00 0.00 N ATOM 1640 CA ALA A 111 100.697 -3.994 5.658 1.00 0.00 C ATOM 1641 C ALA A 111 101.209 -4.757 4.441 1.00 0.00 C ATOM 1642 O ALA A 111 101.223 -4.223 3.334 1.00 0.00 O ATOM 1643 CB ALA A 111 99.193 -4.219 5.812 1.00 0.00 C ATOM 0 H ALA A 111 100.925 -2.235 4.539 1.00 0.00 H new ATOM 0 HA ALA A 111 101.202 -4.358 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 111 98.995 -5.284 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 111 98.833 -3.684 6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 111 98.677 -3.849 4.926 1.00 0.00 H new ATOM 1649 N GLY A 112 101.621 -6.004 4.648 1.00 0.00 N ATOM 1650 CA GLY A 112 102.183 -6.792 3.551 1.00 0.00 C ATOM 1651 C GLY A 112 101.776 -8.259 3.621 1.00 0.00 C ATOM 1652 O GLY A 112 101.459 -8.781 4.691 1.00 0.00 O ATOM 0 H GLY A 112 101.579 -6.485 5.546 1.00 0.00 H new ATOM 0 HA2 GLY A 112 101.855 -6.372 2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 112 103.270 -6.718 3.574 1.00 0.00 H new ATOM 1656 N LEU A 113 101.809 -8.908 2.457 1.00 0.00 N ATOM 1657 CA LEU A 113 101.509 -10.330 2.340 1.00 0.00 C ATOM 1658 C LEU A 113 102.809 -11.064 2.038 1.00 0.00 C ATOM 1659 O LEU A 113 103.658 -10.500 1.342 1.00 0.00 O ATOM 1660 CB LEU A 113 100.508 -10.559 1.205 1.00 0.00 C ATOM 1661 CG LEU A 113 99.957 -11.989 1.270 1.00 0.00 C ATOM 1662 CD1 LEU A 113 98.743 -12.031 2.204 1.00 0.00 C ATOM 1663 CD2 LEU A 113 99.534 -12.446 -0.129 1.00 0.00 C ATOM 0 H LEU A 113 102.045 -8.461 1.571 1.00 0.00 H new ATOM 0 HA LEU A 113 101.072 -10.701 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 113 99.690 -9.842 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 113 100.992 -10.391 0.243 1.00 0.00 H new ATOM 0 HG LEU A 113 100.734 -12.653 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 113 98.353 -13.048 2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 113 99.041 -11.713 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 113 97.970 -11.362 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 113 99.143 -13.462 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 113 98.761 -11.779 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 113 100.396 -12.422 -0.796 1.00 0.00 H new ATOM 1675 N GLN A 114 102.984 -12.291 2.536 1.00 0.00 N ATOM 1676 CA GLN A 114 104.274 -12.964 2.372 1.00 0.00 C ATOM 1677 C GLN A 114 104.120 -14.464 2.161 1.00 0.00 C ATOM 1678 O GLN A 114 103.238 -15.104 2.732 1.00 0.00 O ATOM 1679 CB GLN A 114 105.162 -12.696 3.593 1.00 0.00 C ATOM 1680 CG GLN A 114 106.567 -13.253 3.351 1.00 0.00 C ATOM 1681 CD GLN A 114 107.412 -13.098 4.611 1.00 0.00 C ATOM 1682 OE1 GLN A 114 108.510 -12.394 4.568 1.00 0.00 O flip ATOM 1683 NE2 GLN A 114 107.064 -13.634 5.664 1.00 0.00 N flip ATOM 0 H GLN A 114 102.275 -12.824 3.040 1.00 0.00 H new ATOM 0 HA GLN A 114 104.743 -12.556 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 114 105.215 -11.625 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 114 104.726 -13.158 4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.507 -14.304 3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 114 107.038 -12.727 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 114 106.206 -14.184 5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 114 107.634 -13.528 6.503 1.00 0.00 H new ATOM 1692 N PHE A 115 104.990 -15.003 1.316 1.00 0.00 N ATOM 1693 CA PHE A 115 105.090 -16.443 1.127 1.00 0.00 C ATOM 1694 C PHE A 115 106.568 -16.796 1.114 1.00 0.00 C ATOM 1695 O PHE A 115 107.342 -16.156 0.398 1.00 0.00 O ATOM 1696 CB PHE A 115 104.439 -16.855 -0.196 1.00 0.00 C ATOM 1697 CG PHE A 115 105.078 -16.215 -1.405 1.00 0.00 C ATOM 1698 CD1 PHE A 115 104.654 -14.951 -1.832 1.00 0.00 C ATOM 1699 CD2 PHE A 115 106.094 -16.883 -2.098 1.00 0.00 C ATOM 1700 CE1 PHE A 115 105.244 -14.356 -2.954 1.00 0.00 C ATOM 1701 CE2 PHE A 115 106.685 -16.289 -3.219 1.00 0.00 C ATOM 1702 CZ PHE A 115 106.260 -15.025 -3.646 1.00 0.00 C ATOM 0 H PHE A 115 105.640 -14.460 0.748 1.00 0.00 H new ATOM 0 HA PHE A 115 104.573 -16.970 1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 115 104.493 -17.939 -0.297 1.00 0.00 H new ATOM 0 HB3 PHE A 115 103.382 -16.590 -0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 115 103.872 -14.435 -1.296 1.00 0.00 H new ATOM 0 HD2 PHE A 115 106.422 -17.857 -1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 115 104.915 -13.382 -3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 115 107.468 -16.805 -3.754 1.00 0.00 H new ATOM 0 HZ PHE A 115 106.717 -14.566 -4.510 1.00 0.00 H new ATOM 1712 N ASN A 116 106.972 -17.789 1.906 1.00 0.00 N ATOM 1713 CA ASN A 116 108.400 -18.032 2.103 1.00 0.00 C ATOM 1714 C ASN A 116 108.750 -19.520 2.161 1.00 0.00 C ATOM 1715 O ASN A 116 108.194 -20.258 2.972 1.00 0.00 O ATOM 1716 CB ASN A 116 108.822 -17.391 3.427 1.00 0.00 C ATOM 1717 CG ASN A 116 108.008 -17.976 4.577 1.00 0.00 C ATOM 1718 OD1 ASN A 116 106.755 -17.636 4.717 1.00 0.00 O flip ATOM 1719 ND2 ASN A 116 108.526 -18.762 5.370 1.00 0.00 N flip ATOM 0 H ASN A 116 106.350 -18.422 2.409 1.00 0.00 H new ATOM 0 HA ASN A 116 108.924 -17.602 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 116 109.885 -17.562 3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 116 108.676 -16.312 3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 116 109.505 -19.027 5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 116 107.976 -19.149 6.137 1.00 0.00 H new ATOM 1726 N PRO A 117 109.654 -19.976 1.327 1.00 0.00 N ATOM 1727 CA PRO A 117 110.423 -21.216 1.584 1.00 0.00 C ATOM 1728 C PRO A 117 111.822 -20.849 2.067 1.00 0.00 C ATOM 1729 O PRO A 117 112.165 -19.667 2.116 1.00 0.00 O ATOM 1730 CB PRO A 117 110.466 -21.890 0.211 1.00 0.00 C ATOM 1731 CG PRO A 117 110.322 -20.787 -0.792 1.00 0.00 C ATOM 1732 CD PRO A 117 109.971 -19.504 -0.030 1.00 0.00 C ATOM 0 HA PRO A 117 109.991 -21.862 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.404 -22.427 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.662 -22.619 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 117 111.248 -20.657 -1.353 1.00 0.00 H new ATOM 0 HG3 PRO A 117 109.542 -21.027 -1.515 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.804 -18.802 -0.024 1.00 0.00 H new ATOM 0 HD3 PRO A 117 109.123 -18.989 -0.483 1.00 0.00 H new ATOM 1740 N MET A 118 112.631 -21.843 2.422 1.00 0.00 N ATOM 1741 CA MET A 118 113.989 -21.573 2.891 1.00 0.00 C ATOM 1742 C MET A 118 114.767 -20.752 1.863 1.00 0.00 C ATOM 1743 O MET A 118 114.317 -20.581 0.730 1.00 0.00 O ATOM 1744 CB MET A 118 114.722 -22.890 3.153 1.00 0.00 C ATOM 1745 CG MET A 118 114.053 -23.627 4.315 1.00 0.00 C ATOM 1746 SD MET A 118 114.993 -25.125 4.700 1.00 0.00 S ATOM 1747 CE MET A 118 113.879 -25.772 5.971 1.00 0.00 C ATOM 0 H MET A 118 112.376 -22.830 2.395 1.00 0.00 H new ATOM 0 HA MET A 118 113.922 -21.001 3.816 1.00 0.00 H new ATOM 0 HB2 MET A 118 114.706 -23.511 2.258 1.00 0.00 H new ATOM 0 HB3 MET A 118 115.769 -22.695 3.387 1.00 0.00 H new ATOM 0 HG2 MET A 118 114.005 -22.980 5.191 1.00 0.00 H new ATOM 0 HG3 MET A 118 113.027 -23.886 4.053 1.00 0.00 H new ATOM 0 HE1 MET A 118 114.273 -26.713 6.355 1.00 0.00 H new ATOM 0 HE2 MET A 118 113.799 -25.052 6.786 1.00 0.00 H new ATOM 0 HE3 MET A 118 112.893 -25.941 5.539 1.00 0.00 H new ATOM 1757 N GLU A 119 115.913 -20.222 2.283 1.00 0.00 N ATOM 1758 CA GLU A 119 116.805 -19.482 1.391 1.00 0.00 C ATOM 1759 C GLU A 119 116.162 -18.183 0.889 1.00 0.00 C ATOM 1760 O GLU A 119 115.064 -17.816 1.307 1.00 0.00 O ATOM 1761 CB GLU A 119 117.213 -20.372 0.208 1.00 0.00 C ATOM 1762 CG GLU A 119 117.917 -21.627 0.739 1.00 0.00 C ATOM 1763 CD GLU A 119 118.431 -22.515 -0.398 1.00 0.00 C ATOM 1764 OE1 GLU A 119 118.086 -22.277 -1.546 1.00 0.00 O ATOM 1765 OE2 GLU A 119 119.173 -23.435 -0.099 1.00 0.00 O ATOM 0 H GLU A 119 116.249 -20.292 3.244 1.00 0.00 H new ATOM 0 HA GLU A 119 117.693 -19.204 1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 119 116.334 -20.652 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 119 117.876 -19.825 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 119 118.751 -21.334 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 119 117.226 -22.196 1.360 1.00 0.00 H new ATOM 1772 N ASN A 120 116.857 -17.513 -0.030 1.00 0.00 N ATOM 1773 CA ASN A 120 116.472 -16.195 -0.544 1.00 0.00 C ATOM 1774 C ASN A 120 115.095 -16.163 -1.217 1.00 0.00 C ATOM 1775 O ASN A 120 114.570 -15.085 -1.498 1.00 0.00 O ATOM 1776 CB ASN A 120 117.523 -15.721 -1.551 1.00 0.00 C ATOM 1777 CG ASN A 120 118.878 -15.589 -0.865 1.00 0.00 C ATOM 1778 OD1 ASN A 120 118.948 -15.262 0.319 1.00 0.00 O ATOM 1779 ND2 ASN A 120 119.968 -15.829 -1.545 1.00 0.00 N ATOM 0 H ASN A 120 117.716 -17.874 -0.445 1.00 0.00 H new ATOM 0 HA ASN A 120 116.413 -15.535 0.322 1.00 0.00 H new ATOM 0 HB2 ASN A 120 117.592 -16.428 -2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 120 117.226 -14.762 -1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 120 120.879 -15.745 -1.094 1.00 0.00 H new ATOM 0 HD22 ASN A 120 119.908 -16.100 -2.526 1.00 0.00 H new ATOM 1786 N VAL A 121 114.509 -17.327 -1.473 1.00 0.00 N ATOM 1787 CA VAL A 121 113.333 -17.440 -2.343 1.00 0.00 C ATOM 1788 C VAL A 121 112.032 -17.025 -1.626 1.00 0.00 C ATOM 1789 O VAL A 121 110.942 -17.358 -2.092 1.00 0.00 O ATOM 1790 CB VAL A 121 113.194 -18.872 -2.911 1.00 0.00 C ATOM 1791 CG1 VAL A 121 112.209 -18.877 -4.089 1.00 0.00 C ATOM 1792 CG2 VAL A 121 114.546 -19.411 -3.414 1.00 0.00 C ATOM 0 H VAL A 121 114.829 -18.216 -1.089 1.00 0.00 H new ATOM 0 HA VAL A 121 113.491 -16.747 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 121 112.831 -19.508 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 121 112.118 -19.889 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 121 111.233 -18.530 -3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 121 112.576 -18.215 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 121 114.413 -20.419 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 121 114.926 -18.762 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 121 115.258 -19.434 -2.589 1.00 0.00 H new ATOM 1802 N ALA A 122 112.122 -16.297 -0.503 1.00 0.00 N ATOM 1803 CA ALA A 122 110.918 -15.845 0.195 1.00 0.00 C ATOM 1804 C ALA A 122 110.692 -14.357 -0.069 1.00 0.00 C ATOM 1805 O ALA A 122 111.629 -13.566 0.015 1.00 0.00 O ATOM 1806 CB ALA A 122 111.082 -16.071 1.697 1.00 0.00 C ATOM 0 H ALA A 122 113.000 -16.015 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 122 110.061 -16.411 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 122 110.185 -15.734 2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 122 111.236 -17.133 1.891 1.00 0.00 H new ATOM 0 HB3 ALA A 122 111.943 -15.508 2.058 1.00 0.00 H new ATOM 1812 N LEU A 123 109.451 -13.979 -0.388 1.00 0.00 N ATOM 1813 CA LEU A 123 109.169 -12.613 -0.837 1.00 0.00 C ATOM 1814 C LEU A 123 107.954 -12.027 -0.126 1.00 0.00 C ATOM 1815 O LEU A 123 107.023 -12.748 0.232 1.00 0.00 O ATOM 1816 CB LEU A 123 108.912 -12.596 -2.348 1.00 0.00 C ATOM 1817 CG LEU A 123 110.108 -13.200 -3.102 1.00 0.00 C ATOM 1818 CD1 LEU A 123 109.902 -14.705 -3.295 1.00 0.00 C ATOM 1819 CD2 LEU A 123 110.244 -12.542 -4.480 1.00 0.00 C ATOM 0 H LEU A 123 108.636 -14.590 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 123 110.042 -12.006 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 123 108.008 -13.160 -2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 123 108.742 -11.573 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 123 111.010 -13.024 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 123 110.755 -15.123 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 123 109.812 -15.188 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 123 108.993 -14.877 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 123 111.094 -12.975 -5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 123 109.334 -12.712 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 123 110.401 -11.470 -4.358 1.00 0.00 H new ATOM 1831 N ASP A 124 107.976 -10.709 0.071 1.00 0.00 N ATOM 1832 CA ASP A 124 106.838 -10.007 0.662 1.00 0.00 C ATOM 1833 C ASP A 124 106.565 -8.703 -0.087 1.00 0.00 C ATOM 1834 O ASP A 124 107.492 -8.076 -0.600 1.00 0.00 O ATOM 1835 CB ASP A 124 107.113 -9.710 2.140 1.00 0.00 C ATOM 1836 CG ASP A 124 108.313 -8.774 2.300 1.00 0.00 C ATOM 1837 OD1 ASP A 124 109.180 -8.793 1.442 1.00 0.00 O ATOM 1838 OD2 ASP A 124 108.342 -8.052 3.281 1.00 0.00 O ATOM 0 H ASP A 124 108.765 -10.109 -0.169 1.00 0.00 H new ATOM 0 HA ASP A 124 105.959 -10.646 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 124 106.231 -9.257 2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 124 107.301 -10.642 2.672 1.00 0.00 H new ATOM 1843 N PHE A 125 105.295 -8.304 -0.147 1.00 0.00 N ATOM 1844 CA PHE A 125 104.921 -7.041 -0.781 1.00 0.00 C ATOM 1845 C PHE A 125 104.005 -6.256 0.152 1.00 0.00 C ATOM 1846 O PHE A 125 103.073 -6.824 0.717 1.00 0.00 O ATOM 1847 CB PHE A 125 104.199 -7.308 -2.103 1.00 0.00 C ATOM 1848 CG PHE A 125 105.056 -8.024 -3.122 1.00 0.00 C ATOM 1849 CD1 PHE A 125 105.837 -7.288 -4.020 1.00 0.00 C ATOM 1850 CD2 PHE A 125 105.066 -9.422 -3.170 1.00 0.00 C ATOM 1851 CE1 PHE A 125 106.629 -7.950 -4.965 1.00 0.00 C ATOM 1852 CE2 PHE A 125 105.860 -10.086 -4.114 1.00 0.00 C ATOM 1853 CZ PHE A 125 106.641 -9.349 -5.012 1.00 0.00 C ATOM 0 H PHE A 125 104.511 -8.834 0.234 1.00 0.00 H new ATOM 0 HA PHE A 125 105.823 -6.463 -0.981 1.00 0.00 H new ATOM 0 HB2 PHE A 125 103.307 -7.903 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.864 -6.360 -2.523 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.829 -6.209 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 125 104.461 -9.990 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 125 107.231 -7.381 -5.658 1.00 0.00 H new ATOM 0 HE2 PHE A 125 105.870 -11.165 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 125 107.253 -9.860 -5.741 1.00 0.00 H new ATOM 1863 N SER A 126 104.262 -4.959 0.307 1.00 0.00 N ATOM 1864 CA SER A 126 103.506 -4.161 1.272 1.00 0.00 C ATOM 1865 C SER A 126 103.179 -2.775 0.724 1.00 0.00 C ATOM 1866 O SER A 126 103.884 -2.261 -0.142 1.00 0.00 O ATOM 1867 CB SER A 126 104.308 -4.011 2.565 1.00 0.00 C ATOM 1868 OG SER A 126 104.886 -5.264 2.899 1.00 0.00 O ATOM 0 H SER A 126 104.974 -4.445 -0.212 1.00 0.00 H new ATOM 0 HA SER A 126 102.569 -4.683 1.468 1.00 0.00 H new ATOM 0 HB2 SER A 126 105.087 -3.259 2.440 1.00 0.00 H new ATOM 0 HB3 SER A 126 103.660 -3.668 3.372 1.00 0.00 H new ATOM 0 HG SER A 126 105.211 -5.238 3.823 1.00 0.00 H new ATOM 1874 N TYR A 127 102.101 -2.188 1.235 1.00 0.00 N ATOM 1875 CA TYR A 127 101.741 -0.816 0.894 1.00 0.00 C ATOM 1876 C TYR A 127 101.781 0.040 2.154 1.00 0.00 C ATOM 1877 O TYR A 127 101.378 -0.418 3.224 1.00 0.00 O ATOM 1878 CB TYR A 127 100.336 -0.779 0.290 1.00 0.00 C ATOM 1879 CG TYR A 127 100.196 -1.615 -0.960 1.00 0.00 C ATOM 1880 CD1 TYR A 127 100.583 -1.091 -2.200 1.00 0.00 C ATOM 1881 CD2 TYR A 127 99.680 -2.915 -0.879 1.00 0.00 C ATOM 1882 CE1 TYR A 127 100.455 -1.867 -3.358 1.00 0.00 C ATOM 1883 CE2 TYR A 127 99.553 -3.690 -2.038 1.00 0.00 C ATOM 1884 CZ TYR A 127 99.939 -3.166 -3.277 1.00 0.00 C ATOM 1885 OH TYR A 127 99.814 -3.931 -4.420 1.00 0.00 O ATOM 0 H TYR A 127 101.461 -2.642 1.887 1.00 0.00 H new ATOM 0 HA TYR A 127 102.450 -0.427 0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 127 99.620 -1.129 1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.076 0.254 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 127 100.980 -0.089 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 127 99.380 -3.319 0.077 1.00 0.00 H new ATOM 0 HE1 TYR A 127 100.754 -1.464 -4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 127 99.157 -4.693 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 127 99.441 -4.807 -4.188 1.00 0.00 H new ATOM 1895 N GLU A 128 102.287 1.266 2.031 1.00 0.00 N ATOM 1896 CA GLU A 128 102.426 2.153 3.183 1.00 0.00 C ATOM 1897 C GLU A 128 101.722 3.481 2.926 1.00 0.00 C ATOM 1898 O GLU A 128 101.609 3.927 1.785 1.00 0.00 O ATOM 1899 CB GLU A 128 103.907 2.410 3.467 1.00 0.00 C ATOM 1900 CG GLU A 128 104.608 1.086 3.797 1.00 0.00 C ATOM 1901 CD GLU A 128 106.077 1.298 4.172 1.00 0.00 C ATOM 1902 OE1 GLU A 128 106.588 2.394 3.992 1.00 0.00 O ATOM 1903 OE2 GLU A 128 106.678 0.346 4.642 1.00 0.00 O ATOM 0 H GLU A 128 102.606 1.666 1.149 1.00 0.00 H new ATOM 0 HA GLU A 128 101.966 1.671 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 128 104.378 2.876 2.601 1.00 0.00 H new ATOM 0 HB3 GLU A 128 104.012 3.106 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 128 104.090 0.596 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 128 104.545 0.418 2.938 1.00 0.00 H new ATOM 1910 N GLN A 129 101.254 4.108 4.001 1.00 0.00 N ATOM 1911 CA GLN A 129 100.559 5.385 3.899 1.00 0.00 C ATOM 1912 C GLN A 129 101.191 6.407 4.837 1.00 0.00 C ATOM 1913 O GLN A 129 101.523 6.089 5.980 1.00 0.00 O ATOM 1914 CB GLN A 129 99.083 5.202 4.261 1.00 0.00 C ATOM 1915 CG GLN A 129 98.320 6.501 3.994 1.00 0.00 C ATOM 1916 CD GLN A 129 98.119 6.691 2.494 1.00 0.00 C ATOM 1917 OE1 GLN A 129 98.674 7.710 1.896 1.00 0.00 O flip ATOM 1918 NE2 GLN A 129 97.439 5.891 1.853 1.00 0.00 N flip ATOM 0 H GLN A 129 101.344 3.752 4.953 1.00 0.00 H new ATOM 0 HA GLN A 129 100.640 5.747 2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 129 98.653 4.390 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 129 98.988 4.923 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 129 97.354 6.475 4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 129 98.871 7.347 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 129 97.007 5.096 2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 129 97.307 6.022 0.850 1.00 0.00 H new ATOM 1927 N SER A 130 101.376 7.620 4.321 1.00 0.00 N ATOM 1928 CA SER A 130 101.855 8.741 5.116 1.00 0.00 C ATOM 1929 C SER A 130 100.743 9.774 5.207 1.00 0.00 C ATOM 1930 O SER A 130 100.101 10.069 4.193 1.00 0.00 O ATOM 1931 CB SER A 130 103.099 9.375 4.495 1.00 0.00 C ATOM 1932 OG SER A 130 103.787 10.123 5.490 1.00 0.00 O ATOM 0 H SER A 130 101.198 7.850 3.343 1.00 0.00 H new ATOM 0 HA SER A 130 102.129 8.381 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 130 103.751 8.602 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 130 102.816 10.023 3.666 1.00 0.00 H new ATOM 0 HG SER A 130 104.587 10.531 5.098 1.00 0.00 H new ATOM 1938 N ARG A 131 100.650 10.442 6.355 1.00 0.00 N ATOM 1939 CA ARG A 131 99.422 11.112 6.772 1.00 0.00 C ATOM 1940 C ARG A 131 99.410 12.544 6.241 1.00 0.00 C ATOM 1941 O ARG A 131 100.450 13.191 6.134 1.00 0.00 O ATOM 1942 CB ARG A 131 99.258 11.040 8.307 1.00 0.00 C ATOM 1943 CG ARG A 131 100.051 12.114 9.079 1.00 0.00 C ATOM 1944 CD ARG A 131 101.555 11.869 8.963 1.00 0.00 C ATOM 1945 NE ARG A 131 102.281 12.769 9.863 1.00 0.00 N ATOM 1946 CZ ARG A 131 102.580 14.041 9.555 1.00 0.00 C ATOM 1947 NH1 ARG A 131 102.247 14.578 8.406 1.00 0.00 N ATOM 1948 NH2 ARG A 131 103.225 14.767 10.427 1.00 0.00 N ATOM 0 H ARG A 131 101.419 10.533 7.018 1.00 0.00 H new ATOM 0 HA ARG A 131 98.560 10.600 6.345 1.00 0.00 H new ATOM 0 HB2 ARG A 131 98.201 11.138 8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 131 99.575 10.055 8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 131 99.808 13.102 8.688 1.00 0.00 H new ATOM 0 HG3 ARG A 131 99.757 12.105 10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 131 101.783 10.832 9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 131 101.880 12.030 7.935 1.00 0.00 H new ATOM 0 HE ARG A 131 102.575 12.410 10.771 1.00 0.00 H new ATOM 0 HH11 ARG A 131 101.744 14.026 7.712 1.00 0.00 H new ATOM 0 HH12 ARG A 131 102.491 15.548 8.207 1.00 0.00 H new ATOM 0 HH21 ARG A 131 103.494 14.366 11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 131 103.461 15.735 10.210 1.00 0.00 H new ATOM 1962 N ILE A 132 98.214 13.023 5.911 1.00 0.00 N ATOM 1963 CA ILE A 132 98.060 13.916 4.771 1.00 0.00 C ATOM 1964 C ILE A 132 98.259 15.386 5.136 1.00 0.00 C ATOM 1965 O ILE A 132 97.397 16.052 5.712 1.00 0.00 O ATOM 1966 CB ILE A 132 96.655 13.726 4.164 1.00 0.00 C ATOM 1967 CG1 ILE A 132 96.441 12.257 3.779 1.00 0.00 C ATOM 1968 CG2 ILE A 132 96.492 14.586 2.903 1.00 0.00 C ATOM 1969 CD1 ILE A 132 94.980 12.033 3.383 1.00 0.00 C ATOM 0 H ILE A 132 97.350 12.811 6.410 1.00 0.00 H new ATOM 0 HA ILE A 132 98.835 13.657 4.050 1.00 0.00 H new ATOM 0 HB ILE A 132 95.922 14.028 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 132 97.097 11.989 2.951 1.00 0.00 H new ATOM 0 HG13 ILE A 132 96.704 11.610 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 132 95.495 14.439 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 132 96.627 15.637 3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 132 97.238 14.294 2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 132 94.833 10.988 3.110 1.00 0.00 H new ATOM 0 HD12 ILE A 132 94.333 12.283 4.224 1.00 0.00 H new ATOM 0 HD13 ILE A 132 94.732 12.668 2.533 1.00 0.00 H new ATOM 1981 N ARG A 133 99.448 15.843 4.766 1.00 0.00 N ATOM 1982 CA ARG A 133 99.743 17.248 4.528 1.00 0.00 C ATOM 1983 C ARG A 133 99.453 17.534 3.053 1.00 0.00 C ATOM 1984 O ARG A 133 98.963 16.658 2.330 1.00 0.00 O ATOM 1985 CB ARG A 133 101.211 17.550 4.841 1.00 0.00 C ATOM 1986 CG ARG A 133 101.531 17.155 6.284 1.00 0.00 C ATOM 1987 CD ARG A 133 100.764 18.058 7.254 1.00 0.00 C ATOM 1988 NE ARG A 133 101.174 17.781 8.632 1.00 0.00 N ATOM 1989 CZ ARG A 133 102.229 18.367 9.224 1.00 0.00 C ATOM 1990 NH1 ARG A 133 102.980 19.243 8.601 1.00 0.00 N ATOM 1991 NH2 ARG A 133 102.512 18.055 10.457 1.00 0.00 N ATOM 0 H ARG A 133 100.252 15.232 4.620 1.00 0.00 H new ATOM 0 HA ARG A 133 99.130 17.877 5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 133 101.858 17.004 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 133 101.412 18.611 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 133 101.261 16.113 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 133 102.603 17.240 6.464 1.00 0.00 H new ATOM 0 HD2 ARG A 133 100.952 19.105 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 133 99.692 17.893 7.145 1.00 0.00 H new ATOM 0 HE ARG A 133 100.630 17.108 9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 133 102.771 19.499 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 133 103.773 19.668 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 133 101.937 17.376 10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 133 103.309 18.489 10.923 1.00 0.00 H new ATOM 2005 N SER A 134 99.718 18.755 2.594 1.00 0.00 N ATOM 2006 CA SER A 134 99.373 19.127 1.218 1.00 0.00 C ATOM 2007 C SER A 134 99.926 18.127 0.185 1.00 0.00 C ATOM 2008 O SER A 134 99.508 18.150 -0.971 1.00 0.00 O ATOM 2009 CB SER A 134 99.920 20.521 0.909 1.00 0.00 C ATOM 2010 OG SER A 134 101.340 20.468 0.876 1.00 0.00 O ATOM 0 H SER A 134 100.162 19.493 3.140 1.00 0.00 H new ATOM 0 HA SER A 134 98.286 19.117 1.143 1.00 0.00 H new ATOM 0 HB2 SER A 134 99.535 20.872 -0.048 1.00 0.00 H new ATOM 0 HB3 SER A 134 99.588 21.231 1.666 1.00 0.00 H new ATOM 0 HG SER A 134 101.696 21.359 0.677 1.00 0.00 H new ATOM 2016 N VAL A 135 100.856 17.252 0.583 1.00 0.00 N ATOM 2017 CA VAL A 135 101.248 16.115 -0.252 1.00 0.00 C ATOM 2018 C VAL A 135 101.024 14.801 0.506 1.00 0.00 C ATOM 2019 O VAL A 135 101.500 14.633 1.629 1.00 0.00 O ATOM 2020 CB VAL A 135 102.722 16.238 -0.651 1.00 0.00 C ATOM 2021 CG1 VAL A 135 102.921 17.510 -1.478 1.00 0.00 C ATOM 2022 CG2 VAL A 135 103.596 16.307 0.603 1.00 0.00 C ATOM 0 H VAL A 135 101.348 17.310 1.474 1.00 0.00 H new ATOM 0 HA VAL A 135 100.634 16.115 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 135 103.007 15.367 -1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 135 103.969 17.599 -1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 135 102.304 17.461 -2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 135 102.631 18.378 -0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 135 104.643 16.394 0.312 1.00 0.00 H new ATOM 0 HG22 VAL A 135 103.311 17.175 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 135 103.458 15.401 1.193 1.00 0.00 H new ATOM 2032 N ASP A 136 100.293 13.878 -0.117 1.00 0.00 N ATOM 2033 CA ASP A 136 100.013 12.572 0.487 1.00 0.00 C ATOM 2034 C ASP A 136 100.887 11.500 -0.152 1.00 0.00 C ATOM 2035 O ASP A 136 101.076 11.510 -1.369 1.00 0.00 O ATOM 2036 CB ASP A 136 98.541 12.206 0.285 1.00 0.00 C ATOM 2037 CG ASP A 136 98.219 10.887 0.983 1.00 0.00 C ATOM 2038 OD1 ASP A 136 98.825 10.610 2.005 1.00 0.00 O ATOM 2039 OD2 ASP A 136 97.367 10.171 0.483 1.00 0.00 O ATOM 0 H ASP A 136 99.882 14.009 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 136 100.231 12.629 1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 136 97.905 12.998 0.680 1.00 0.00 H new ATOM 0 HB3 ASP A 136 98.323 12.124 -0.780 1.00 0.00 H new ATOM 2044 N VAL A 137 101.423 10.569 0.647 1.00 0.00 N ATOM 2045 CA VAL A 137 102.392 9.603 0.110 1.00 0.00 C ATOM 2046 C VAL A 137 101.789 8.205 -0.001 1.00 0.00 C ATOM 2047 O VAL A 137 101.138 7.722 0.926 1.00 0.00 O ATOM 2048 CB VAL A 137 103.650 9.531 0.982 1.00 0.00 C ATOM 2049 CG1 VAL A 137 104.713 8.685 0.275 1.00 0.00 C ATOM 2050 CG2 VAL A 137 104.217 10.935 1.228 1.00 0.00 C ATOM 0 H VAL A 137 101.211 10.464 1.639 1.00 0.00 H new ATOM 0 HA VAL A 137 102.662 9.956 -0.885 1.00 0.00 H new ATOM 0 HB VAL A 137 103.383 9.081 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.608 8.633 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.327 7.679 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 137 104.961 9.140 -0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 137 105.110 10.863 1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 137 104.474 11.396 0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.470 11.545 1.736 1.00 0.00 H new ATOM 2060 N GLY A 138 102.014 7.566 -1.145 1.00 0.00 N ATOM 2061 CA GLY A 138 101.651 6.163 -1.324 1.00 0.00 C ATOM 2062 C GLY A 138 102.887 5.392 -1.768 1.00 0.00 C ATOM 2063 O GLY A 138 103.492 5.742 -2.781 1.00 0.00 O ATOM 0 H GLY A 138 102.446 7.997 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.263 5.751 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 138 100.860 6.069 -2.068 1.00 0.00 H new ATOM 2067 N THR A 139 103.279 4.369 -1.010 1.00 0.00 N ATOM 2068 CA THR A 139 104.531 3.665 -1.282 1.00 0.00 C ATOM 2069 C THR A 139 104.301 2.166 -1.429 1.00 0.00 C ATOM 2070 O THR A 139 103.591 1.562 -0.627 1.00 0.00 O ATOM 2071 CB THR A 139 105.527 3.920 -0.149 1.00 0.00 C ATOM 2072 OG1 THR A 139 105.658 5.319 0.058 1.00 0.00 O ATOM 2073 CG2 THR A 139 106.888 3.326 -0.514 1.00 0.00 C ATOM 0 H THR A 139 102.754 4.012 -0.211 1.00 0.00 H new ATOM 0 HA THR A 139 104.934 4.045 -2.221 1.00 0.00 H new ATOM 0 HB THR A 139 105.164 3.449 0.764 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.353 5.674 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 139 107.594 3.510 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 139 106.786 2.252 -0.670 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.255 3.792 -1.428 1.00 0.00 H new ATOM 2081 N TRP A 140 104.900 1.579 -2.460 1.00 0.00 N ATOM 2082 CA TRP A 140 104.826 0.137 -2.667 1.00 0.00 C ATOM 2083 C TRP A 140 106.223 -0.452 -2.524 1.00 0.00 C ATOM 2084 O TRP A 140 107.179 0.095 -3.072 1.00 0.00 O ATOM 2085 CB TRP A 140 104.277 -0.170 -4.061 1.00 0.00 C ATOM 2086 CG TRP A 140 104.129 -1.634 -4.334 1.00 0.00 C ATOM 2087 CD1 TRP A 140 103.526 -2.519 -3.508 1.00 0.00 C ATOM 2088 CD2 TRP A 140 104.582 -2.395 -5.492 1.00 0.00 C ATOM 2089 NE1 TRP A 140 103.577 -3.775 -4.085 1.00 0.00 N ATOM 2090 CE2 TRP A 140 104.219 -3.751 -5.308 1.00 0.00 C ATOM 2091 CE3 TRP A 140 105.264 -2.046 -6.669 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 104.524 -4.726 -6.262 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 105.572 -3.020 -7.629 1.00 0.00 C ATOM 2094 CH2 TRP A 140 105.203 -4.358 -7.428 1.00 0.00 C ATOM 0 H TRP A 140 105.442 2.079 -3.165 1.00 0.00 H new ATOM 0 HA TRP A 140 104.158 -0.303 -1.926 1.00 0.00 H new ATOM 0 HB2 TRP A 140 103.307 0.313 -4.175 1.00 0.00 H new ATOM 0 HB3 TRP A 140 104.940 0.266 -4.808 1.00 0.00 H new ATOM 0 HD1 TRP A 140 103.078 -2.284 -2.554 1.00 0.00 H new ATOM 0 HE1 TRP A 140 103.188 -4.616 -3.659 1.00 0.00 H new ATOM 0 HE3 TRP A 140 105.554 -1.019 -6.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 104.238 -5.755 -6.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 106.097 -2.738 -8.530 1.00 0.00 H new ATOM 0 HH2 TRP A 140 105.443 -5.103 -8.172 1.00 0.00 H new ATOM 2105 N ILE A 141 106.354 -1.541 -1.764 1.00 0.00 N ATOM 2106 CA ILE A 141 107.670 -2.122 -1.509 1.00 0.00 C ATOM 2107 C ILE A 141 107.688 -3.616 -1.817 1.00 0.00 C ATOM 2108 O ILE A 141 106.704 -4.315 -1.582 1.00 0.00 O ATOM 2109 CB ILE A 141 108.074 -1.874 -0.045 1.00 0.00 C ATOM 2110 CG1 ILE A 141 107.117 -2.602 0.909 1.00 0.00 C ATOM 2111 CG2 ILE A 141 108.045 -0.369 0.257 1.00 0.00 C ATOM 2112 CD1 ILE A 141 107.638 -2.485 2.343 1.00 0.00 C ATOM 0 H ILE A 141 105.577 -2.031 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 141 108.390 -1.639 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 141 109.083 -2.259 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 141 106.118 -2.171 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 141 107.033 -3.651 0.626 1.00 0.00 H new ATOM 0 HG21 ILE A 141 108.332 -0.201 1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 141 108.744 0.148 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 141 107.039 0.016 0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 141 106.958 -3.002 3.020 1.00 0.00 H new ATOM 0 HD12 ILE A 141 108.628 -2.936 2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 141 107.699 -1.433 2.623 1.00 0.00 H new ATOM 2124 N ALA A 142 108.825 -4.088 -2.319 1.00 0.00 N ATOM 2125 CA ALA A 142 109.017 -5.514 -2.559 1.00 0.00 C ATOM 2126 C ALA A 142 110.388 -5.930 -2.045 1.00 0.00 C ATOM 2127 O ALA A 142 111.384 -5.266 -2.334 1.00 0.00 O ATOM 2128 CB ALA A 142 108.912 -5.815 -4.056 1.00 0.00 C ATOM 0 H ALA A 142 109.625 -3.506 -2.567 1.00 0.00 H new ATOM 0 HA ALA A 142 108.244 -6.074 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.057 -6.882 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 142 107.927 -5.521 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.678 -5.256 -4.594 1.00 0.00 H new ATOM 2134 N GLY A 143 110.440 -7.016 -1.279 1.00 0.00 N ATOM 2135 CA GLY A 143 111.697 -7.444 -0.674 1.00 0.00 C ATOM 2136 C GLY A 143 111.857 -8.959 -0.716 1.00 0.00 C ATOM 2137 O GLY A 143 110.871 -9.696 -0.720 1.00 0.00 O ATOM 0 H GLY A 143 109.638 -7.609 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.531 -6.976 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 143 111.738 -7.103 0.360 1.00 0.00 H new ATOM 2141 N VAL A 144 113.110 -9.405 -0.725 1.00 0.00 N ATOM 2142 CA VAL A 144 113.423 -10.830 -0.746 1.00 0.00 C ATOM 2143 C VAL A 144 114.347 -11.159 0.422 1.00 0.00 C ATOM 2144 O VAL A 144 115.178 -10.333 0.802 1.00 0.00 O ATOM 2145 CB VAL A 144 114.102 -11.200 -2.069 1.00 0.00 C ATOM 2146 CG1 VAL A 144 113.143 -10.929 -3.229 1.00 0.00 C ATOM 2147 CG2 VAL A 144 115.369 -10.359 -2.256 1.00 0.00 C ATOM 0 H VAL A 144 113.929 -8.796 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 144 112.501 -11.404 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 144 114.368 -12.257 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 144 113.626 -11.192 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 144 112.242 -11.529 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 144 112.876 -9.872 -3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 144 115.847 -10.626 -3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 144 115.105 -9.302 -2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 144 116.057 -10.550 -1.433 1.00 0.00 H new ATOM 2157 N GLY A 145 114.183 -12.343 1.003 1.00 0.00 N ATOM 2158 CA GLY A 145 114.982 -12.716 2.165 1.00 0.00 C ATOM 2159 C GLY A 145 115.115 -14.227 2.319 1.00 0.00 C ATOM 2160 O GLY A 145 114.551 -15.006 1.543 1.00 0.00 O ATOM 0 H GLY A 145 113.516 -13.050 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 145 115.974 -12.274 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.527 -12.301 3.064 1.00 0.00 H new ATOM 2164 N TYR A 146 115.872 -14.613 3.342 1.00 0.00 N ATOM 2165 CA TYR A 146 116.078 -16.015 3.680 1.00 0.00 C ATOM 2166 C TYR A 146 116.060 -16.195 5.197 1.00 0.00 C ATOM 2167 O TYR A 146 116.159 -15.218 5.939 1.00 0.00 O ATOM 2168 CB TYR A 146 117.415 -16.498 3.103 1.00 0.00 C ATOM 2169 CG TYR A 146 118.632 -15.870 3.744 1.00 0.00 C ATOM 2170 CD1 TYR A 146 119.103 -14.633 3.289 1.00 0.00 C ATOM 2171 CD2 TYR A 146 119.287 -16.527 4.791 1.00 0.00 C ATOM 2172 CE1 TYR A 146 120.230 -14.051 3.883 1.00 0.00 C ATOM 2173 CE2 TYR A 146 120.415 -15.945 5.385 1.00 0.00 C ATOM 2174 CZ TYR A 146 120.886 -14.708 4.930 1.00 0.00 C ATOM 2175 OH TYR A 146 121.997 -14.135 5.515 1.00 0.00 O ATOM 0 H TYR A 146 116.359 -13.962 3.959 1.00 0.00 H new ATOM 0 HA TYR A 146 115.272 -16.609 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 146 117.477 -17.580 3.217 1.00 0.00 H new ATOM 0 HB3 TYR A 146 117.433 -16.288 2.034 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.597 -14.127 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 146 118.924 -17.482 5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.593 -13.096 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 146 120.921 -16.451 6.194 1.00 0.00 H new ATOM 0 HH TYR A 146 122.331 -14.720 6.227 1.00 0.00 H new ATOM 2185 N ARG A 147 115.952 -17.446 5.644 1.00 0.00 N ATOM 2186 CA ARG A 147 115.869 -17.748 7.073 1.00 0.00 C ATOM 2187 C ARG A 147 117.056 -18.602 7.510 1.00 0.00 C ATOM 2188 O ARG A 147 117.583 -19.392 6.728 1.00 0.00 O ATOM 2189 CB ARG A 147 114.565 -18.493 7.368 1.00 0.00 C ATOM 2190 CG ARG A 147 114.412 -18.704 8.877 1.00 0.00 C ATOM 2191 CD ARG A 147 113.062 -19.358 9.170 1.00 0.00 C ATOM 2192 NE ARG A 147 113.051 -20.739 8.679 1.00 0.00 N ATOM 2193 CZ ARG A 147 111.940 -21.489 8.605 1.00 0.00 C ATOM 2194 NH1 ARG A 147 110.765 -21.037 8.972 1.00 0.00 N ATOM 2195 NH2 ARG A 147 112.032 -22.709 8.152 1.00 0.00 N ATOM 0 H ARG A 147 115.920 -18.266 5.038 1.00 0.00 H new ATOM 0 HA ARG A 147 115.889 -16.810 7.629 1.00 0.00 H new ATOM 0 HB2 ARG A 147 113.717 -17.925 6.984 1.00 0.00 H new ATOM 0 HB3 ARG A 147 114.562 -19.455 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 147 115.220 -19.333 9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 147 114.485 -17.749 9.397 1.00 0.00 H new ATOM 0 HD2 ARG A 147 112.868 -19.344 10.243 1.00 0.00 H new ATOM 0 HD3 ARG A 147 112.263 -18.789 8.694 1.00 0.00 H new ATOM 0 HE ARG A 147 113.934 -21.152 8.378 1.00 0.00 H new ATOM 0 HH11 ARG A 147 110.673 -20.086 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 147 109.943 -21.637 8.901 1.00 0.00 H new ATOM 0 HH21 ARG A 147 112.937 -23.078 7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 147 111.199 -23.294 8.089 1.00 0.00 H new ATOM 2209 N PHE A 148 117.472 -18.434 8.762 1.00 0.00 N ATOM 2210 CA PHE A 148 118.609 -19.183 9.284 1.00 0.00 C ATOM 2211 C PHE A 148 119.851 -18.937 8.434 1.00 0.00 C ATOM 2212 O PHE A 148 120.643 -18.089 8.809 1.00 0.00 O ATOM 2213 CB PHE A 148 118.287 -20.681 9.299 1.00 0.00 C ATOM 2214 CG PHE A 148 119.373 -21.522 9.925 1.00 0.00 C ATOM 2215 CD1 PHE A 148 119.410 -21.697 11.314 1.00 0.00 C ATOM 2216 CD2 PHE A 148 120.342 -22.128 9.118 1.00 0.00 C ATOM 2217 CE1 PHE A 148 120.417 -22.479 11.894 1.00 0.00 C ATOM 2218 CE2 PHE A 148 121.349 -22.909 9.698 1.00 0.00 C ATOM 2219 CZ PHE A 148 121.386 -23.084 11.086 1.00 0.00 C ATOM 2220 OXT PHE A 148 119.990 -19.601 7.420 1.00 0.00 O ATOM 0 H PHE A 148 117.043 -17.792 9.428 1.00 0.00 H new ATOM 0 HA PHE A 148 118.806 -18.843 10.301 1.00 0.00 H new ATOM 0 HB2 PHE A 148 117.356 -20.839 9.843 1.00 0.00 H new ATOM 0 HB3 PHE A 148 118.120 -21.019 8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 148 118.663 -21.229 11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 148 120.313 -21.993 8.047 1.00 0.00 H new ATOM 0 HE1 PHE A 148 120.446 -22.615 12.965 1.00 0.00 H new ATOM 0 HE2 PHE A 148 122.097 -23.376 9.074 1.00 0.00 H new ATOM 0 HZ PHE A 148 122.163 -23.686 11.534 1.00 0.00 H new TER 2230 PHE A 148